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 | 4/20 | 0.49 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.51 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.51 |
| ▸ | TST | Q16762 | 2/20 | 0.51 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.51 |
| ▸ | ALB | P02768 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | APEX1 | P27695 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29702447 | 0.88 | CYP1A2 (0.59) | ENPP2THRBHSD17B10APEX1CYP2C9 | |
| SCHEMBL28747674 | 0.88 | CYP1A2 (0.59) | ENPP2THRBHSD17B10APEX1CYP2C9 | |
| SCHEMBL2940832 | 0.81 | THRB (0.56) | HSPD1HSPE1TSTENPP2ALB | |
| SCHEMBL9640482 | 0.81 | CYP1A2 (0.59) | HSPD1HSPE1TSTENPP2ALB | |
| SCHEMBL9640449 | 0.81 | CYP1A2 (0.59) | HSPD1HSPE1TSTENPP2ALB | |
| SCHEMBL9640497 | 0.79 | CYP1A2 (0.57) | ENPP2THRBHSD17B10APEX1CYP2C9 | |
| SCHEMBL28747688 | 0.78 | CYP1A2 (0.54) | ENPP2THRBHSD17B10APEX1CYP2C9 | |
| SCHEMBL29394507 | 0.77 | APEX1 (0.47) | HSPD1HSPE1TSTENPP2ALB | |
| SCHEMBL9640088 | 0.75 | CYP1A2 (0.56) | THRBHSD17B10APEX1CYP2C9CYP2C19 | |
| SCHEMBL9640108 | 0.75 | CYP1A2 (0.56) | THRBHSD17B10APEX1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114539803-A | Direct red/direct violet dye compound and preparation method and application thereof | 广东省科学院测试分析研究所(中国广州分析测试中心) | 2022-05-27 | — | — | CN | disclosed |