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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 15/20 | 0.81 |
| ▸ | CA2 known ✓ | P00918 | 15/20 | 0.81 |
| ▸ | CA12 known ✓ | O43570 | 12/20 | 0.81 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.72 |
| ▸ | CA9 | Q16790 | 12/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8830317 | 1.00 | CA1 (0.81) | CA1CA2CA12CA9THRB | |
| SCHEMBL4363734 | 0.91 | THRB (0.77) | CA1CA2CA12CA9THRB | |
| SCHEMBL15611261 | 0.88 | CA1 (0.65) | CA1CA2CA12CA9THRB | |
| SCHEMBL9490566 | 0.88 | CA1 (0.65) | CA1CA2CA12CA9THRB | |
| SCHEMBL31257958 | 0.88 | CA1 (0.65) | CA1CA2CA12CA9THRB | |
| SCHEMBL11574073 | 0.88 | CA1 (0.65) | CA1CA2CA12CA9THRB | |
| Potassium Ion SCHEMBL4362953 | 0.85 | CA1 (0.75) | CA1CA2CA12CA9THRB | |
| SCHEMBL5308757 | 0.84 | THRB (1.00) | CA1CA2CA12CA9THRB | |
| SCHEMBL137550 | 0.84 | THRB (1.00) | CA1CA2CA12CA9THRB | |
| SCHEMBL8391082 | 0.83 | CA1 (0.59) | CA1CA2CA12CA9THRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8259857-A | — | — | None | — | — | JP | disclosed |
| JP-H08259857-A | UNDERWATER ANTIFOULING AGENT COMPOSITION | ROHM & HAAS CO | 1996-10-08 | — | — | JP | disclosed |
| EP-0386508-B1 | QUATERNARY AMMONIUM SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1993-05-12 | — | — | EP | disclosed |
| EP-0386509-B1 | BIOCIDAL COMPOSITIONS | Degussa Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| EP-0386509-A1 | Biocidal compositions | Degussa Aktiengesellschaft (DE) | 1990-09-12 | — | — | EP | disclosed |
| EP-0386508-A1 | Quaternary ammonium salts, process for their preparation and their use | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1990-09-12 | — | — | EP | disclosed |