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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 5/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205171 | 0.97 | HDAC1 (0.49) | MAPTRXFP1HDAC1HDAC2HDAC3 | |
| SCHEMBL11203965 | 0.91 | HDAC1 (0.51) | MAPTRXFP1HDAC1HDAC2HDAC3 | |
| SCHEMBL11203828 | 0.86 | MAPT (0.50) | MAPTRXFP1HDAC1HDAC2HDAC3 | |
| SCHEMBL11270686 | 0.85 | MAPT (0.49) | MAPTRXFP1HDAC1HDAC2HDAC3 | |
| Clomoxir SCHEMBL1580449 | 0.83 | ABCB11 (0.45) | MAPTHDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL10880727 | 0.81 | HDAC3 (0.42) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL11209541 | 0.80 | HDAC3 (0.47) | MAPTRXFP1HDAC1HDAC2HDAC3 | |
| SCHEMBL11266263 | 0.78 | LMNA (0.58) | MAPTMAPK1 | |
| SCHEMBL11268538 | 0.78 | LMNA (0.58) | MAPTMAPK1 | |
| SCHEMBL8925815 | 0.78 | MAPT (0.42) | MAPTRXFP1HDAC1HDAC2ALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025192-B1 | SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1983-05-11 | — | — | EP | disclosed |
| US-4335111-A | BACTERICIDES | AGENCE NATIONAL DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1982-06-15 | — | — | US | disclosed |
| US-4324796-A | HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-04-13 | — | — | US | disclosed |
| EP-0025192-A2 | Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1981-03-18 | — | — | EP | disclosed |
| EP-0013856-A1 | New compounds associating peptidyl or aminoacyl residues to lipophilic groups and pharmaceutical compositions containing said new compounds | ANVAR Agence Nationale de Valorisation de la Recherche (FR) | 1980-08-06 | — | — | EP | disclosed |