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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | FDPS known ✓ | P14324 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PTPRA | P18433 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL22502183 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| Lithium Ion SCHEMBL31084604 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| Potassium Ion SCHEMBL29375764 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| Lithium Ion SCHEMBL988401 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| SCHEMBL11122324 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| SCHEMBL28518813 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| SCHEMBL8635758 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| Zinc Ion SCHEMBL5685855 | 0.96 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| SCHEMBL2142240 | 0.81 | RAB9A (0.58) | RAB9ANPC1SMN1; SMN2PTPRACA1 | |
| SCHEMBL3881248 | 0.80 | PTPRA (0.53) | RAB9ANPC1SMN1; SMN2PTPRACA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3239154-A1 | IRAK INHIBITORS AND USES THEREOF | Nimbus Iris, Inc. (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2663312-B1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS INC (US) | 2017-10-11 | — | — | EP | disclosed |
| US-20160296524-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS INC (US) | 2016-10-13 | — | — | US | disclosed |
| US-9340554-B2 | IRAK inhibitors and uses thereof | NIMBUS IRIS, INC. (US) | 2016-05-17 | — | — | US | disclosed |
| US-20150025093-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2015-01-22 | — | — | US | disclosed |
| US-8703941-B2 | IRAK inhibitors and uses thereof | NIMBUS IRIS, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-20120283238-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2012-11-08 | — | — | US | disclosed |
| CN-100522362-C | Double-active-species catalyst and application | HONGKONG UNIV OF TECHNOLOGY (HK) | 2009-08-05 | — | — | CN | disclosed |
| CN-100376325-C | Oxo catalyst, process for its preparation and process for the preparation of acetic acid and acetic anhydride | HONGKONG UNIV OF TECHNOLOGY (HK) | 2008-03-26 | — | — | CN | disclosed |
| CN-1672791-A | Double-active-species catalyst and application | HONGKONG UNIV OF TECHNOLOGY (HK) | 2005-09-28 | — | — | CN | disclosed |
| CN-1672794-A | Oxo catalyst, process for its preparation and process for the preparation of acetic acid and acetic anhydride | HONGKONG UNIV OF TECHNOLOGY (HK) | 2005-09-28 | — | — | CN | disclosed |
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | 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 (4 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-20150025093-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | CA1 4779/4885CA2 4543/4885FDPS 3438/4885 |
| US-20160296524-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | CA1 4779/4885CA2 4543/4885FDPS 3438/4885 |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | ADORA2A, ADORA2B, ADORA1 | CA1 966/4885CA2 504/4885FDPS 4143/4885 |
| US-20120283238-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | CA1 4779/4885CA2 4543/4885FDPS 3438/4885 |
“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.