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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8153475 | 0.89 | PABPC1 (0.41) | CA12CA2CA9CYP3A4TDP1 | |
| SCHEMBL8159898 | 0.87 | PABPC1 (0.41) | CA12CA2CA9CYP3A4TDP1 | |
| SCHEMBL8934009 | 0.78 | TSHR (0.38) | CA2CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL27518864 | 0.78 | FAAH (0.43) | CA2CA9CYP3A4TDP1 | |
| SCHEMBL28052482 | 0.78 | TDP1 (0.38) | CA2CA9CYP3A4TDP1ALDH1A1 | |
| SCHEMBL9803515 | 0.78 | TDP1 (0.39) | CA12CA2CA9CYP3A4TDP1 | |
| SCHEMBL27722081 | 0.78 | CA2 (0.43) | CA12CA2CA9 | |
| Silver SCHEMBL9803503 | 0.78 | TDP1 (0.39) | CA12CA2CA9CYP3A4TDP1 | |
| SCHEMBL8773423 | 0.76 | TSHR (0.37) | CA2CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL8773545 | 0.76 | PSIP1 (0.39) | CA2CYP3A4TDP1ALDH1A1TP53 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0489472-B1 | Carbonylation process and catalyst composition | SHELL INT RESEARCH (NL) | 1997-10-29 | — | — | EP | disclosed |
| EP-0296550-B1 | Phosphonium salts and processes for production of and uses for the same | KURARAY CO (JP) | 1993-12-29 | — | — | EP | disclosed |
| US-5149868-A | Carbonylation process | SHELL OIL COMPANY (US) | 1992-09-22 | — | — | US | disclosed |
| EP-0489472-A2 | Carbonylation process and catalyst composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-10 | — | — | EP | disclosed |
| US-5100854-A | Telomerization catalysts | KURARAY CO., LTD. (JP) | 1992-03-31 | — | — | US | disclosed |
| US-4992609-A | Telomerization catalysts | KURARAY CO., LTD. (JP) | 1991-02-12 | — | — | US | disclosed |
| US-4927960-A | TELOMERIZATION CATALYST | KURARAY COMPANY, LTD. (JP) | 1990-05-22 | — | — | US | disclosed |
| EP-0296550-A2 | Phosphonium salts and processes for production of and uses for the same | KURARAY CO., LTD. (JP) | 1988-12-28 | — | — | EP | disclosed |