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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 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 | |
|---|---|---|---|---|
| SCHEMBL10340509 | 0.71 | — | — | |
| SCHEMBL9341903 | 0.69 | — | — | |
| Bicarbonate SCHEMBL28452972 | 0.67 | — | — | |
| SCHEMBL28114675 | 0.63 | — | — | |
| Dalapon SCHEMBL1043436 | 0.63 | — | — | |
| Tert-Butanol SCHEMBL11271524 | 0.61 | CA1 (0.50) | CA4CA1FAHD1 | |
| Dimethylcarbate SCHEMBL3272509 | 0.61 | — | — | |
| Pivalate SCHEMBL1043179 | 0.61 | — | — | |
| Tert-Butanol SCHEMBL11271521 | 0.61 | CA1 (0.50) | CA4CA1FAHD1 | |
| SCHEMBL27912772 | 0.61 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693485-B1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO (JP) | 1998-06-03 | — | — | EP | disclosed |
| US-5677470-A | CHEMICAL INTERMEDIATES; ANTITUMOR AGENTS | TANABE SEIYAKU CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0693485-A2 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1996-01-24 | — | — | EP | disclosed |
| EP-0402312-B1 | P-substituted propane-phosphinic acid compounds | CIBA GEIGY AG (CH) | 1995-01-25 | — | — | EP | disclosed |
| CN-1077457-A | New compound | ZENECA LTD (GB) | 1993-10-20 | — | — | CN | disclosed |
| US-5190934-A | Treatment of cognitive and memory disorders | CIBA-GEIGY CORPORATION (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0402312-A2 | P-substituted propane-phosphinic acid compounds | CIBA-GEIGY AG (CH) | 1990-12-12 | — | — | EP | disclosed |