Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | FABP3 | P05413 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL76018 | 0.98 | CES2 (0.44) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL7890037 | 0.98 | CES2 (0.44) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL4879952 | 0.98 | CES2 (0.44) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL10639504 | 0.98 | CES2 (0.44) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL9893310 | 0.98 | CES2 (0.44) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL29052286 | 0.96 | CA1 (0.45) | CES2CES1CA1 | |
| SCHEMBL629311 | 0.93 | FABP3 (0.51) | CES2CES1FABP3CA1FAAH | |
| SCHEMBL7157352 | 0.91 | CES2 (0.42) | CES2CES1FABP3EPHX1CA1 | |
| SCHEMBL27556718 | 0.87 | CES2 (0.48) | CES2CES1 | |
| SCHEMBL7527790 | 0.87 | CA1 (0.41) | CES2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003171213-A | MICROBICIDE COMPOSITION FOR AGRICULTURE AND HORTICULTURE | SANKEI KAGAKU KK | 2003-06-17 | — | — | JP | disclosed |