Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 7/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 7/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.46 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 7/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11204080 | 0.90 | LTA4H (0.46) | ALDH1A1 | |
| SCHEMBL3364128 | 0.90 | KCNA3 (0.52) | CA12CA1CA2CA9CA7 | |
| SCHEMBL5583897 | 0.89 | CA12 (0.48) | CA12CA1CA2CA9CA7 | |
| SCHEMBL10348203 | 0.87 | ALDH1A1 (0.50) | CA12CA1CA2CA9CA7 | |
| SCHEMBL5583895 | 0.87 | MGLL (0.47) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7220133 | 0.81 | CA12 (0.45) | CA12CA1CA2CA9CA7 | |
| SCHEMBL5583945 | 0.81 | MEN1 (0.48) | CA12CA1CA2CA9CA7 | |
| SCHEMBL11505191 | 0.80 | ALDH1A1 (0.60) | TSHRALDH1A1 | |
| SCHEMBL28347602 | 0.79 | KCNA3 (0.56) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7580913 | 0.79 | HPGD (0.32) | CA12CA1CA2CA9CA7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3207046-B1 | ACYCLIC CUCURBIT(N)URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS | UNIV MARYLAND (US) | 2024-09-25 | — | — | EP | disclosed |
| US-20240124476-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2024-04-18 | — | — | US | disclosed |
| US-11897893-B2 | Molecular containers and methods of making and using same | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2024-02-13 | — | — | US | disclosed |
| US-20210206774-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2021-07-08 | — | — | US | disclosed |
| US-9956229-B2 | Acyclic cucurbit[n]uril type molecular containers to treat intoxication and decrease relapse rate in substance abuse disorders | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2018-05-01 | — | — | US | disclosed |
| US-20170246180-A1 | ACYCLIC CUCURBIT[N]URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS | GENERAL HOSPITAL CORPORATION | 2017-08-31 | — | — | US | disclosed |
| EP-3207046-A1 | ACYCLIC CUCURBIT(N)URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS | University of Maryland, College Park (US) | 2017-08-23 | — | — | EP | disclosed |
| US-20170137431-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2017-05-18 | — | — | US | disclosed |
| US-9567344-B2 | Molecular containers and methods of making and using same | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2017-02-14 | — | — | US | disclosed |
| US-9566351-B2 | Molecular containers and methods of making and using same | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2017-02-14 | — | — | US | disclosed |
| US-9469648-B2 | Reversal of drug-induced neuromuscular block using novel molecular containers | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2016-10-18 | — | — | US | disclosed |
| WO-2016061571-A1 | ACYCLIC CUCURBIT(N)URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2016-04-21 | — | — | WO | disclosed |
| EP-2627657-B1 | CUCURBIT[n]URIL-TYPE MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIV MARYLAND (US) | 2016-02-03 | — | — | EP | disclosed |
| EP-2627641-B1 | REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL CUCURBIT[n]URIL MOLECULAR CONTAINERS | UNIV MARYLAND (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150328334-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MARYLAND | 2015-11-19 | — | — | US | disclosed |
| US-20130345273-A1 | REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS | GENERAL HOSPITAL CORPORATION (US) | 2013-12-26 | — | — | US | disclosed |
| EP-2627641-A1 | REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS | University of Maryland, College Park (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2627657-A2 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | University of Maryland, College Park (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051407-A2 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2012-04-19 | — | — | WO | disclosed |
| WO-2012051413-A1 | REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2012-04-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130345273-A1 | REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS | CHRNA10, CHRNB4, CHRNA4 | CA12 1747/4885CA1 727/4885CA2 338/4885 |
| US-11897893-B2 | Molecular containers and methods of making and using same | CBR1, CNR1, CNR2 | CA12 136/4885CA1 133/4885CA2 40/4885 |
| US-20170137431-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | CBR1, CNR1, CNR2 | CA12 136/4885CA1 133/4885CA2 40/4885 |
| US-20150328334-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | CBR1, CNR1, CNR2 | CA12 136/4885CA1 133/4885CA2 40/4885 |
| US-20170246180-A1 | ACYCLIC CUCURBIT[N]URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS | CNR1, CNR2, OPRM1 | CA12 1284/4885CA1 974/4885CA2 1123/4885 |
| US-20210206774-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | CBR1, CNR1, CNR2 | CA12 136/4885CA1 133/4885CA2 40/4885 |
| US-20240124476-A1 | MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME | CBR1, CNR1, CNR2 | CA12 136/4885CA1 133/4885CA2 40/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.