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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 16/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 15/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5195026 | 0.94 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL5195038 | 0.94 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6166820 | 0.94 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6166829 | 0.94 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6166830 | 0.94 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6167758 | 0.91 | ITGA4 (0.41) | ITGA4ITGB1 | |
| SCHEMBL5195438 | 0.88 | ITGA4 (0.42) | ITGA4ITGB1CHEK1CTSD | |
| SCHEMBL6166470 | 0.88 | ITGA4 (0.44) | ITGA4ITGB1CHEK1 | |
| SCHEMBL6166460 | 0.88 | ITGA4 (0.44) | ITGA4ITGB1CHEK1 | |
| SCHEMBL6164563 | 0.85 | ITGB1 (0.46) | ITGA4ITGB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373249-B1 | IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT | AVENTIS PHARMA GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1373249-A1 | IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT | Aventis Pharma Deutschland GmbH (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002072573-A1 | IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-09-19 | — | — | WO | disclosed |