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 | 3/20 | 0.54 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.49 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.49 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.47 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.47 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.47 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.47 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | FUT7 | Q11130 | 2/20 | 0.72 |
| ▸ | STS | P08842 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320216 | 1.00 | FUT7 (0.72) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL5322295 | 1.00 | FUT7 (0.72) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL3374603 | 0.85 | CA2 (0.54) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL2134736 | 0.83 | CA2 (0.53) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL5265636 | 0.83 | CA2 (0.56) | FUT7CA2STSTHRBTHRA | |
| Phenol SCHEMBL10936982 | 0.83 | FUT7 (0.51) | FUT7CA2STSSMN1; SMN2ESR1 | |
| SCHEMBL4062463 | 0.82 | THRB (0.54) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL5427923 | 0.82 | CA2 (0.51) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL11654904 | 0.82 | THRB (0.54) | FUT7CA2STSTHRBTHRA | |
| SCHEMBL29240379 | 0.82 | THRB (0.54) | FUT7CA2STSTHRBTHRA |
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-0971981-B1 | EMULSIFIERS FOR AMINO RESINS | BASF AG (DE) | 2004-10-13 | — | — | EP | disclosed |
| US-6429252-B1 | COMPRISING POLYOXYALKYLENE GLYCOLS, OPTIONALLY ETHERIFIED OR ESTERIFIED; USE AS CURING AGENTS IN AQUEOUS COATING COMPOSITIONS | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-06 | — | — | US | disclosed |
| US-20020040091-A1 | EMULSIFIERS FOR AMINO RESINS | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-04 | — | — | US | disclosed |