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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.33 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CRYAA | P02489 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5481866 | 0.79 | ENPEP (0.43) | ENPEPKDM4EMAPTALOX15GMNN | |
| SCHEMBL15754444 | 0.77 | ENPEP (0.42) | ENPEPKDM4EMAPTALOX15GMNN | |
| SCHEMBL23530434 | 0.76 | CA1 (0.36) | ALDH1A1TP53TSHRCA1CA2 | |
| SCHEMBL29074252 | 0.76 | CA1 (0.36) | ALDH1A1TP53TSHRCA1CA2 | |
| SCHEMBL4926822 | 0.76 | ENPEP (0.45) | ENPEPKDM4EMAPTALOX15GMNN | |
| SCHEMBL272976 | 0.76 | CA1 (0.36) | ALDH1A1TP53TSHRCA1CA2 | |
| SCHEMBL11566225 | 0.76 | CA1 (0.42) | LMNACA1CA2CA9 | |
| SCHEMBL15754666 | 0.76 | ENPEP (0.41) | ENPEPKDM4EMAPTALOX15GMNN | |
| SCHEMBL28554323 | 0.75 | ENPEP (0.48) | ENPEPKDM4EMAPTALOX15GMNN | |
| Lithium Ion SCHEMBL29257538 | 0.74 | LMNA (0.43) | ENPEPKDM4EMAPTALOX15GMNN |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102161761-B | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2012-08-22 | — | — | CN | claimed |
| CN-102161761-A | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2011-08-24 | — | — | CN | claimed |
| EP-2874713-B1 | PROCESS TO PRODUCE FLUORINATED BETAINES | DU PONT (US) | 2016-06-15 | — | — | EP | disclosed |
| EP-2874713-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. du Pont de Nemours and Company (US) | 2015-05-27 | — | — | EP | disclosed |
| CN-104470589-A | Process to produce fluorinated betaines | DU PONT | 2015-03-25 | — | — | CN | disclosed |
| US-8809577-B2 | Process to produce fluorinated betaines | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-08-19 | — | — | US | disclosed |
| WO-2014014810-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | WO | disclosed |
| US-20140024855-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | US | disclosed |
| CN-102161761-B | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2012-08-22 | — | — | CN | disclosed |
| CN-102161761-A | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2011-08-24 | — | — | CN | 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 (1 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-20140024855-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | SLC6A12, FOLR2, F12 | CA1 241/4885CA2 228/4885ENPEP 4290/4885 |
“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.