Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 11/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 4/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6974962 | 1.00 | PYGL (0.48) | PYGLGRIK1GRIK2NOS2NOS3 | |
| SCHEMBL5855625 | 0.85 | PYGL (0.47) | PYGLGRIK1GRIK2NOS2NOS3 | |
| SCHEMBL5855628 | 0.85 | PYGL (0.47) | PYGLGRIK1GRIK2NOS2NOS3 | |
| SCHEMBL28849836 | 0.85 | NOS2 (0.52) | PYGLGRIK1GRIK2NOS2NOS3 | |
| SCHEMBL5756315 | 0.82 | CYP1A2 (0.47) | GRIK1GRIK2NOS2NOS3NOS1 | |
| SCHEMBL5756310 | 0.82 | CYP1A2 (0.47) | GRIK1GRIK2NOS2NOS3NOS1 | |
| SCHEMBL9997657 | 0.80 | CYP1A2 (0.53) | GRIK1GRIK2HPGD | |
| SCHEMBL9997659 | 0.80 | CYP1A2 (0.53) | GRIK1GRIK2HPGD | |
| SCHEMBL31560382 | 0.78 | NFE2L2 (0.45) | PTGS2GRIN1GRIN2B | |
| Acetic Acid SCHEMBL6974964 | 0.78 | GRIK1 (0.51) | PYGLGRIK1GRIK2PTGS2ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934271-B1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-0848706-B1 | SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0823896-B1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-0934271-A1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5840725-A | Substituted oximes, hydrazones and olefins as neurokinin antagonists | SCHERING CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| US-5789422-A | PIPERIDINYL COMPOUNDS, TREATMENT OF ASTHMA, COUGH, MIGRAINE, CROHN*S DISEASE, ANTIINFLAMMATORY AGENTS | SCHERING CORPORATION (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0848706-A1 | SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-06-24 | — | — | EP | disclosed |
| WO-1998018761-A1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-05-07 | — | — | WO | disclosed |
| EP-0823896-A1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-02-18 | — | — | EP | disclosed |
| US-5696267-A | ANTIHISTAMINES; ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS | SCHERING CORPORATION (US) | 1997-12-09 | — | — | US | disclosed |
| US-5691362-A | ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS | SCHERING-PLOUGH CORPORATION (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996039383-A1 | SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-12-12 | — | — | WO | disclosed |
| WO-1996034857-A1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-11-07 | — | — | WO | disclosed |