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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 8/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL353204 | 0.79 | KDM4E (0.40) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| SCHEMBL31662998 | 0.79 | CSNK1A1 (0.38) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| SCHEMBL6628045 | 0.79 | CSNK1A1 (0.38) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| SCHEMBL351842 | 0.78 | ITGB1 (0.40) | CA2ITGB1ITGA4SLC6A9CCR5 | |
| SCHEMBL9504653 | 0.78 | KDM4E (0.39) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| Hydrochloric Acid SCHEMBL4249059 | 0.78 | KDM4E (0.39) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| SCHEMBL411769 | 0.78 | ITGB1 (0.36) | ITGB1ITGA4SLC6A9CCR5CCR1 | |
| SCHEMBL31606794 | 0.78 | SIRT3 (0.46) | SLC6A9CCR5CCR1CCR8NOS3 | |
| SCHEMBL161321 | 0.78 | SIRT3 (0.46) | SLC6A9CCR5CCR1CCR8NOS3 | |
| SCHEMBL6161611 | 0.77 | P2RX7 (0.54) | ITGB1ITGA4SLC6A9CCR5NOS3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272903-B1 | PROCESS FOR PRODUCING A POLYARYLENE SULFIDE | Tosoh Corporation (JP) | 1993-07-21 | — | — | EP | claimed |
| US-4794163-A | HIGH MOLECULAR WEIGHT, HEAT RESISTANCE | TOSOH CORPORATION (JP) | 1988-12-27 | — | — | US | claimed |
| EP-0272903-A2 | Process for producing a polyarylene sulfide | Tosoh Corporation (JP) | 1988-06-29 | — | — | EP | claimed |
| EP-0272903-B1 | PROCESS FOR PRODUCING A POLYARYLENE SULFIDE | Tosoh Corporation (JP) | 1993-07-21 | — | — | EP | disclosed |
| US-4794163-A | HIGH MOLECULAR WEIGHT, HEAT RESISTANCE | TOSOH CORPORATION (JP) | 1988-12-27 | — | — | US | disclosed |
| EP-0272903-A2 | Process for producing a polyarylene sulfide | Tosoh Corporation (JP) | 1988-06-29 | — | — | EP | disclosed |