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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 18/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 17/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.54 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.54 |
| ▸ | ITGB6 | P18564 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7175669 | 0.97 | ITGB3 (0.57) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7168468 | 0.93 | ITGAV (0.63) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7169953 | 0.92 | ITGAV (0.64) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7168475 | 0.91 | ITGAV (0.63) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7168452 | 0.91 | ITGAV (0.63) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7175684 | 0.90 | ITGB3 (0.67) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7177374 | 0.90 | ITGAV (0.52) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7171242 | 0.90 | ITGB3 (0.68) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7175694 | 0.89 | ITGB3 (0.67) | ITGAVITGB3ITGA2BITGB5ITGB6 | |
| SCHEMBL7175663 | 0.89 | ITGB3 (0.67) | ITGAVITGB3ITGA2BITGB5ITGB6 |
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 |