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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 11/20 | 0.68 |
| ▸ | P2RY12 known ✓ | Q9H244 | 10/20 | 0.68 |
| ▸ | P2RY2 known ✓ | P41231 | 9/20 | 0.68 |
| ▸ | P2RY6 known ✓ | Q15077 | 5/20 | 0.68 |
| ▸ | P2RY1 known ✓ | P47900 | 2/20 | 0.68 |
| ▸ | CDK2 | P24941 | 2/20 | 0.68 |
| ▸ | ENTPD1 | P49961 | 1/20 | 0.63 |
| ▸ | MET | P08581 | 1/20 | 0.62 |
| ▸ | HGF | P14210 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL10017872 | 0.90 | GNG2 (0.76) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL11598798 | 0.89 | GNG2 (0.74) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL29532 | 0.88 | P2RY4 (0.66) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL29351453 | 0.88 | P2RY4 (0.66) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL791496 | 0.87 | P2RY4 (0.77) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL11090681 | 0.82 | P2RY4 (0.76) | P2RY4P2RY12P2RY2P2RY6P2RY1 | |
| SCHEMBL792756 | 0.82 | P2RY4 (0.79) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL3020870 | 0.82 | P2RY4 (0.82) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| Uniblue A SCHEMBL29533348 | 0.82 | P2RY4 (0.71) | P2RY4P2RY12P2RY2P2RY6CDK2 | |
| SCHEMBL19708510 | 0.82 | GNG2 (0.76) | P2RY4P2RY12P2RY2P2RY6CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57139058-A | — | — | None | — | — | JP | disclosed |
| CN-104326953-A | Preparation method of reactive brilliant blue KN-R intermediate | UNIV DALIAN TECH | 2015-02-04 | — | — | CN | disclosed |
| US-4351765-A | Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-09-28 | — | — | US | disclosed |
| JP-S57139058-A | PREPARATION OF SULFURIC HALF ESTER COMPOUND | SUMITOMO CHEM CO LTD | 1982-08-27 | — | — | JP | disclosed |