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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 5/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5974938 | 0.93 | CA4 (0.33) | CA4CA1CA9 | |
| SCHEMBL7906334 | 0.83 | FFAR3 (0.36) | CA4CA2CA1FFAR3HDAC3 | |
| Silver SCHEMBL977657 | 0.77 | CYP4F2 (0.32) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28671830 | 0.77 | CYP4F2 (0.32) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28972576 | 0.77 | CYP4F2 (0.32) | CA1CA9FFAR3HDAC3HDAC1 | |
| Potassium Ion SCHEMBL28681486 | 0.77 | CYP4F2 (0.32) | CA4CA1CA9FFAR3HDAC3 | |
| SCHEMBL28972718 | 0.77 | CYP4F2 (0.32) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL25196181 | 0.71 | CA4 (0.57) | CA4FAHD1CASP1CA2CA1 | |
| SCHEMBL4777919 | 0.71 | FFAR3 (0.41) | CA4FAHD1CASP1CA2CA1 | |
| SCHEMBL7316948 | 0.71 | CA4 (0.57) | CA4FAHD1CASP1CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0751223-B1 | Method for preparing dimethylolcarboxylic acid derivatives | SHOWA DENKO KK (JP) | 2002-05-02 | — | — | EP | disclosed |
| US-5716815-A | USING RHODOCOCCUS OR AGROBACTERIUM TO OXIDIZE THE CORRESPONDING TRIS(HYDROXYMETHYL) COMPOUND | SHOWA DENKO K.K. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0751223-A2 | Method for preparing dimethylolcarboxylic acid derivatives | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1997-01-02 | — | — | EP | disclosed |