Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RHOC | P08134 | 1/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8129975 | 0.84 | SIGMAR1 (0.55) | TSHRUSP2HSD17B10RIPK1 | |
| SCHEMBL6266657 | 0.82 | TACR1 (0.47) | TACR1RIPK1 | |
| SCHEMBL7862741 | 0.78 | TACR1 (0.47) | TACR1CYP3A4TSHRUSP2HSD17B10 | |
| SCHEMBL5918111 | 0.76 | SLC18A3 (0.47) | TACR1CYP3A4TSHRUSP2HSD17B10 | |
| SCHEMBL5800713 | 0.76 | SLC18A3 (0.47) | TACR1CYP3A4TSHRUSP2HSD17B10 | |
| SCHEMBL7823087 | 0.75 | TACR1 (0.66) | TACR1USP2 | |
| Hydrochloric Acid SCHEMBL8475576 | 0.74 | TACR1 (0.64) | TACR1USP2 | |
| SCHEMBL1401249 | 0.74 | TACR1 (0.69) | TACR1 | |
| SCHEMBL1400972 | 0.74 | TACR1 (0.69) | TACR1 | |
| SCHEMBL1400971 | 0.74 | TACR1 (0.69) | TACR1 |
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 |