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 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21518401 | 0.83 | S1PR2 (0.43) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL21623884 | 0.83 | S1PR2 (0.43) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL21623897 | 0.83 | S1PR2 (0.43) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL4407844 | 0.83 | PPARA (0.40) | EPHX2PPARARECQLMAPK1GLA | |
| SCHEMBL21518434 | 0.83 | S1PR2 (0.43) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL21518394 | 0.81 | TP53 (0.44) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL21623891 | 0.81 | TP53 (0.44) | EPHX2PPARATP53CA2CA1 | |
| SCHEMBL1134065 | 0.80 | MEN1 (0.38) | EPHX2MAPK1LMNA | |
| SCHEMBL180859 | 0.79 | EPHX2 (0.54) | EPHX2PPARAADH1BADH1CADH1A | |
| SCHEMBL21518440 | 0.77 | TP53 (0.40) | EPHX2PPARATP53CA2CA1 |
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-113651944-B | Ionically hydrophilicized polyisocyanates having improved drying properties | 科思创知识产权两合公司 | 2022-07-15 | — | — | CN | disclosed |