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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 8/20 | 0.68 |
| ▸ | P2RY2 known ✓ | P41231 | 8/20 | 0.66 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.63 |
| ▸ | P2RY4 known ✓ | P51582 | 9/20 | 0.62 |
| ▸ | P2RY6 known ✓ | Q15077 | 2/20 | 0.62 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.61 |
| ▸ | ENTPD1 | P49961 | 1/20 | 0.62 |
| ▸ | MET | P08581 | 1/20 | 0.61 |
| ▸ | HGF | P14210 | 1/20 | 0.61 |
| ▸ | CDK2 | P24941 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL18089411 | 0.88 | PHLPP2 (0.65) | P2RY12P2RY2P2RY4P2RY6ENTPD1 | |
| SCHEMBL29395314 | 0.81 | P2RY12 (1.00) | P2RY12P2RY2ADORA1P2RY4P2RY6 | |
| SCHEMBL30504038 | 0.81 | P2RY12 (1.00) | P2RY12P2RY2ADORA1P2RY4P2RY6 | |
| SCHEMBL3019529 | 0.81 | P2RY12 (1.00) | P2RY12P2RY2ADORA1P2RY4P2RY6 | |
| SCHEMBL9173682 | 0.81 | PHLPP2 (0.75) | P2RY12P2RY2P2RY4P2RY6ENTPD1 | |
| SCHEMBL29625851 | 0.80 | P2RY4 (0.85) | P2RY12P2RY2P2RY4P2RY6MET | |
| SCHEMBL29462119 | 0.80 | P2RY12 (0.67) | P2RY12P2RY2ADORA1P2RY4P2RY6 | |
| SCHEMBL15901552 | 0.80 | P2RY12 (0.67) | P2RY12P2RY2ADORA1P2RY4P2RY6 | |
| SCHEMBL29356677 | 0.80 | P2RY2 (1.00) | P2RY12P2RY2P2RY4P2RY6ENTPD1 | |
| SCHEMBL29370484 | 0.80 | P2RY12 (0.67) | P2RY12P2RY2P2RY4P2RY6MET |
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 |
|---|---|---|---|---|---|---|---|
| EP-1723222-B1 | BLEACH ACTIVATORS AND METHOD FOR THE PRODUCTION THEREOF | HENKEL AG & CO KGAA (DE) | 2009-03-25 | — | — | EP | disclosed |
| US-20070197416-A1 | Bleach activators and method for the production thereof | HENKEL KGAA (DE) | 2007-08-23 | — | — | US | disclosed |
| EP-1723222-A1 | BLEACH ACTIVATORS AND METHOD FOR THE PRODUCTION THEREOF | Henkel Kommanditgesellschaft auf Aktien (DE) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087908-A1 | BLEACH ACTIVATORS AND METHOD FOR THE PRODUCTION THEREOF | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2005-09-22 | — | — | WO | disclosed |