Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18768681 | 0.98 | SIGMAR1 (0.53) | SIGMAR1GAAL3MBTL1ALDH1A1TSHR | |
| SCHEMBL14423336 | 0.92 | SIGMAR1 (0.55) | SIGMAR1GAAHRH3ALDH1A1TSHR | |
| SCHEMBL1022743 | 0.82 | SIGMAR1 (0.44) | SIGMAR1GAAL3MBTL1HRH3ALDH1A1 | |
| SCHEMBL9435583 | 0.82 | SIGMAR1 (0.58) | SIGMAR1HRH3SLC6A3 | |
| SCHEMBL8790806 | 0.80 | SIGMAR1 (0.42) | SIGMAR1GAAL3MBTL1HRH3ALDH1A1 | |
| SCHEMBL8790515 | 0.78 | SIGMAR1 (0.41) | SIGMAR1GAAL3MBTL1HRH3ALDH1A1 | |
| SCHEMBL7899995 | 0.74 | SLC6A3 (0.53) | SIGMAR1HRH3SLC6A3 | |
| Pyrrolidine SCHEMBL15516038 | 0.74 | SIGMAR1 (0.72) | SIGMAR1HRH3ALDH1A1TSHRMEN1 | |
| SCHEMBL6532984 | 0.74 | SIGMAR1 (0.47) | SIGMAR1GAAL3MBTL1ALDH1A1TSHR | |
| SCHEMBL27300143 | 0.74 | SIGMAR1 (0.77) | SIGMAR1HRH3ALDH1A1TSHRMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0899264-B1 | 7-Phenyl-1,4-diazepane derivatives as neurokinine receptor antagonists | SOLVAY PHARM GMBH (DE) | 2005-11-23 | — | — | EP | disclosed |
| US-6040303-A | NEUROKININ-RECEPTOR ANTAGONISTS, ANTIINFLAMMATORY AGENTS FOR TREATING GASTROINTESTINAL DISORDERS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2000-03-21 | — | — | US | disclosed |
| EP-0899264-A1 | 7-Phenyl-1,4-diazepane derivatives as neurokinine receptor antagonists | Solvay Pharmaceuticals GmbH (DE) | 1999-03-03 | — | — | EP | disclosed |