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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.40 |
| ▸ | ITGAL | P20701 | 2/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19951587 | 0.90 | ITGB2 (0.51) | ITGB2ICAM1ITGALSLC6A5CA1 | |
| SCHEMBL19963538 | 0.88 | HTR1D (0.42) | ITGB2ICAM1ITGALSLC6A5CPB2 | |
| SCHEMBL29867919 | 0.77 | ALDH1A1 (0.50) | CYP3A4 | |
| SCHEMBL30374583 | 0.76 | GRIA1 (0.39) | CA1CA2CYP3A4 | |
| SCHEMBL30374615 | 0.76 | ALDH1A1 (0.33) | CYP3A4 | |
| SCHEMBL30374571 | 0.74 | ACE (0.55) | ITGB2ICAM1ITGAL | |
| SCHEMBL24106906 | 0.74 | ITGB2 (0.57) | ITGB2ICAM1ITGALSLC6A5CA1 | |
| SCHEMBL4536009 | 0.74 | ITGB2 (0.57) | ITGB2ICAM1ITGALSLC6A5CA1 | |
| SCHEMBL4535076 | 0.73 | HTR1D (0.48) | ITGB2ICAM1ITGALSLC6A5CA1 | |
| Hydrochloric Acid SCHEMBL28591529 | 0.73 | ITGB2 (0.56) | ITGB2ICAM1ITGALSLC6A5CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3510041-B1 | PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2023-05-31 | — | — | EP | disclosed |