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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 20/20 | 0.69 |
| ▸ | ITGB3 | P05106 | 19/20 | 0.69 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.69 |
| ▸ | ITGB6 | P18564 | 7/20 | 0.69 |
| ▸ | ITGB5 | P18084 | 6/20 | 0.69 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.44 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7171394 | 0.97 | ITGAV (0.65) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6669430 | 0.91 | ITGAV (0.82) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7178281 | 0.91 | ITGAV (0.84) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7173311 | 0.90 | ITGAV (0.81) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6669034 | 0.88 | ITGAV (0.77) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6670290 | 0.88 | ITGAV (0.68) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7174907 | 0.88 | ITGAV (0.80) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7171385 | 0.87 | ITGAV (0.76) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6672107 | 0.86 | ITGAV (0.74) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7172738 | 0.85 | ITGAV (0.67) | ITGAVITGB3ITGA2BITGB6ITGB5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6576637-B1 | Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, | MERCK PATENT GMBH (DE) | 2003-06-10 | — | — | US | disclosed |