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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 6/20 | 0.48 |
| ▸ | GABRG2 known ✓ | P18507 | 6/20 | 0.48 |
| ▸ | GABRB3 known ✓ | P28472 | 6/20 | 0.48 |
| ▸ | GABRA5 known ✓ | P31644 | 4/20 | 0.48 |
| ▸ | GABRA3 known ✓ | P34903 | 4/20 | 0.48 |
| ▸ | GABRA2 known ✓ | P47869 | 4/20 | 0.39 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4003028 | 0.97 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6284455 | 0.83 | GABRA1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL4004456 | 0.69 | BCL6 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL1762157 | 0.67 | GABRA1 (0.70) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL1761798 | 0.67 | GABRA1 (0.69) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2190248 | 0.66 | GABRA1 (0.85) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29642847 | 0.66 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17940732 | 0.66 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6803619 | 0.65 | GABRG2 (0.52) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL13320628 | 0.65 | PI4KA (0.51) | KMT2AGRM1ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004041826-A1 | IMIDAZOPYRAZINONES AND IMIDAZOTRIAZINONES DERIVATES AS GABA-A RECEPTOR ANXIOLYTIC | MERCK SHARP & DOHME LIMITED (GB) | 2004-05-21 | — | — | WO | disclosed |