Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7811346 | 0.85 | HPGD (0.47) | KMOSLC6A2SLC6A4SLC6A3MEN1 | |
| SCHEMBL7803137 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KMOSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7809429 | 0.83 | SIGMAR1 (0.42) | KMOMEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL6962001 | 0.76 | MEN1 (0.49) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL7803022 | 0.75 | PNMT (0.41) | ALDH1A1MEN1KMT2APNMTTSHR | |
| SCHEMBL7807793 | 0.74 | TACR1 (0.42) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL7809519 | 0.74 | MEN1 (0.45) | POLBMEN1KMT2ASMN1; SMN2MAOB | |
| SCHEMBL6969734 | 0.71 | ALDH1A1 (0.49) | ALDH1A1SLC6A2SLC6A4SLC6A3POLB | |
| SCHEMBL7815381 | 0.71 | KMT2A (0.41) | POLBMEN1KMT2APNMTCYP1A2 | |
| SCHEMBL7803017 | 0.71 | KDM4E (0.43) | ALDH1A1MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848706-B1 | SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| EP-0848706-A1 | SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5691362-A | ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS | SCHERING-PLOUGH CORPORATION (US) | 1997-11-25 | — | — | US | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0773929-A1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996039383-A1 | SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-12-12 | — | — | WO | disclosed |
| WO-1996039386-A1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-12-12 | — | — | WO | disclosed |