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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | HPSE | Q9Y251 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 2/20 | 0.36 |
| ▸ | SENP2 | Q9HC62 | 3/20 | 0.35 |
| ▸ | SENP3 | Q9H4L4 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7052177 | 0.89 | NR4A1 (0.50) | TTRNR4A1AURKAAURKBHPSE | |
| SCHEMBL9274353 | 0.88 | TTR (0.60) | TTRNR4A1AURKAAURKBHPSE | |
| SCHEMBL30322685 | 0.87 | TTR (0.68) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL313372 | 0.87 | TTR (0.68) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL9274363 | 0.85 | TTR (0.66) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL20514928 | 0.85 | TTR (0.66) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL7052180 | 0.85 | TTR (0.66) | TTRNR4A1AURKAAURKBCYP1A2 | |
| Nitrogen SCHEMBL27709748 | 0.84 | TTR (0.64) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL8497445 | 0.83 | TTR (0.53) | TTRNR4A1AURKAAURKBCYP1A2 | |
| SCHEMBL10900215 | 0.80 | TTR (0.61) | TTRAURKAAURKBALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5538518-A | DYEING AND PRINTING OF COTTON AND POLYAMIDES; AZO DYES; COLOR- AND WASHFASTNESS; EXHAUSTION AND COLD PAD BATCH | BAYER AKTIENGESELLSCHAFT (DE) | 1996-07-23 | — | — | US | disclosed |