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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.72 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.56 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.56 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.74 |
| ▸ | GAA | P10253 | 5/20 | 0.74 |
| ▸ | STS | P08842 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | ALPL | P05186 | 3/20 | 0.62 |
| ▸ | ALPI | P09923 | 3/20 | 0.62 |
| ▸ | GLA | P06280 | 4/20 | 0.58 |
| ▸ | MAOA | P21397 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.54 |
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 SCHEMBL380405 | 0.97 | KDM4E (0.74) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL10850187 | 0.85 | KDM4E (1.00) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL38662608 | 0.84 | ALDH1A1 (0.76) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL25184 | 0.84 | ALDH1A1 (0.76) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL30139608 | 0.84 | ALDH1A1 (0.76) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL9451464 | 0.84 | STS (1.00) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL3761326 | 0.83 | ALDH1A1 (0.74) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL1358798 | 0.82 | KDM4E (0.72) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL13930283 | 0.81 | MAOB (0.71) | KDM4EALDH1A1GAASTSCA2 | |
| SCHEMBL31120406 | 0.81 | ALDH1A1 (0.71) | KDM4EALDH1A1GAASTSCA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115443264-B | Compounds and uses thereof | 瓦伦塔有限责任公司 | 2024-07-16 | — | — | CN | disclosed |
| US-7846965-B2 | a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium | STERIX LIMITED (GB) | 2010-12-07 | — | — | US | disclosed |
| US-20070173531-A1 | Compound | REED MICHAEL J | 2007-07-26 | — | — | US | 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-20070173531-A1 | Compound | HSD17B11, NR5A1, CYP17A1 | CA2 796/4885CA12 864/4885CA1 187/4885 |
“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.