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 | 0.32 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.32 |
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.31 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14889172 | 0.79 | AKT1 (0.43) | AKT1AKR1B1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL668441 | 0.77 | AKR1B1 (0.61) | AKT1AKR1B1TSHRHIF1A | |
| SCHEMBL9375856 | 0.76 | CYP3A4 (0.47) | AKR1B1CYP3A4TSHRGAACYP2C9 | |
| SCHEMBL15946705 | 0.76 | ALDH1A1 (0.41) | AKT1AKR1B1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL705718 | 0.76 | CTBP2 (0.50) | AKT1ALDH1A1MEN1MAPTHPGD | |
| SCHEMBL14889217 | 0.73 | AKT1 (0.42) | AKT1AKR1B1TDP1MAPTHPGD | |
| SCHEMBL15402769 | 0.73 | KMT2A (0.51) | AKT1KMT2APTGS1PTGS2 | |
| SCHEMBL5326921 | 0.73 | TDP1 (0.62) | ALDH1A1TDP1KDM4EMEN1MAPT | |
| SCHEMBL8800339 | 0.71 | LMNA (0.43) | AKT1ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL4491411 | 0.71 | KMT2A (0.50) | CYP3A4MEN1MAPTKMT2ASMN1; SMN2 |
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-111349953-A | Environment-friendly carrier-free water-based sulfate zinc plating additive | 武汉奥邦表面技术有限公司 | 2020-06-30 | — | — | CN | claimed |