Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6249954 | 1.00 | TACR1 (0.68) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL4698120 | 0.93 | TACR1 (0.75) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL4701722 | 0.93 | TACR1 (0.75) | TACR1CYP3A4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL6598901 | 0.92 | TACR1 (0.74) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL3240404 | 0.89 | TACR1 (0.67) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL6248250 | 0.88 | TACR1 (0.70) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL6250337 | 0.88 | TACR1 (0.70) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL6249966 | 0.87 | TACR1 (0.63) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL6546058 | 0.86 | TACR1 (0.86) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL4026690 | 0.85 | TACR1 (0.68) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377558-B1 | [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | claimed |