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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.52 |
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.43 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | RAD51 | Q06609 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2221118 | 0.91 | CA1 (0.50) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL3141243 | 0.89 | RAD51 (0.51) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL29363604 | 0.89 | RAD51 (0.51) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL30860146 | 0.89 | RAD51 (0.51) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL8411103 | 0.89 | RAD51 (0.51) | CA1CA2CA9RAD51P2RY12 | |
| Potassium Ion SCHEMBL2217018 | 0.89 | CA1 (0.50) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL2220308 | 0.85 | CA1 (0.45) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL2218667 | 0.85 | CA1 (0.45) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL2218463 | 0.84 | P2RY2 (0.54) | CA1CA2CA9RAD51P2RY12 | |
| SCHEMBL8003389 | 0.84 | RAD51 (0.55) | CA1CA2CA9RAD51P2RY12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6966213-B2 | Rapid method for detecting leaks of hydraulic fluids in production plants | NALCO COMPANY (US) | 2005-11-22 | — | — | US | disclosed |
| US-20050160795-A1 | Rapid method for detecting leaks of hydraulic fluids in production plants | ECOLAB USA INC. | 2005-07-28 | — | — | US | disclosed |