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 | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.38 |
| ▸ | PGAM1 | P18669 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 3/20 | 0.37 |
| ▸ | CCR5 | P51681 | 3/20 | 0.37 |
| ▸ | CCR8 | P51685 | 3/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29625847 | 0.82 | COMT (0.44) | PGAM1CCR1CCR5CCR8TOP2A | |
| SCHEMBL3865563 | 0.82 | COMT (0.44) | PGAM1CCR1CCR5CCR8TOP2A | |
| SCHEMBL29910306 | 0.78 | PKLR (0.52) | PKLRPTPN1PGAM1FTOP2RY12 | |
| SCHEMBL4274718 | 0.78 | PKLR (0.52) | PKLRPTPN1PGAM1FTOP2RY12 | |
| SCHEMBL1502442 | 0.73 | IKBKB (0.43) | CCR1CCR5CCR8TOP2ACA1 | |
| SCHEMBL29432921 | 0.73 | IKBKB (0.43) | CCR1CCR5CCR8TOP2ACA1 | |
| Water SCHEMBL1502441 | 0.72 | IKBKB (0.42) | CCR1CCR5CCR8TOP2ACA1 | |
| Water SCHEMBL29543687 | 0.72 | IKBKB (0.42) | CCR1CCR5CCR8TOP2ACA1 | |
| SCHEMBL10334283 | 0.71 | PKLR (0.38) | PKLRPTPN1PGAM1FTOP2RY12 | |
| SCHEMBL753630 | 0.70 | GLO1 (0.40) | TOP2A |
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-1251346-B1 | Sensors for the determination of organometallic compounds | DYNASOL ELASTOMEROS SA (ES) | 2008-10-15 | — | — | EP | claimed |
| EP-1251346-A1 | Sensors for the determination of organometallic compounds | Dynasol Elastomeros, S.A. (ES) | 2002-10-23 | — | — | EP | claimed |
| US-20020151081-A1 | Sensors for the determination of organometallic compounds | DYNASOL ELASTOMEROS, S.A. | 2002-10-17 | — | — | US | claimed |
| US-6875615-B2 | Sensors for the determination of organometallic compounds | DYNASOL ELASTOMEROS, S.A. (ES) | 2005-04-05 | — | — | US | disclosed |
| EP-1251346-A1 | Sensors for the determination of organometallic compounds | Dynasol Elastomeros, S.A. (ES) | 2002-10-23 | — | — | EP | disclosed |
| US-20020151081-A1 | Sensors for the determination of organometallic compounds | DYNASOL ELASTOMEROS, S.A. | 2002-10-17 | — | — | US | disclosed |