Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6064290 | 0.99 | TACR1 (0.54) | TACR1RIPK1GRM5HSP90AA1HSP90AB1 | |
| SCHEMBL6064294 | 0.99 | TACR1 (0.54) | TACR1RIPK1GRM5HSP90AA1HSP90AB1 | |
| SCHEMBL5218238 | 0.87 | TACR1 (0.53) | TACR1RIPK1GRM5HSP90AA1HSP90AB1 | |
| SCHEMBL30145299 | 0.85 | TACR1 (0.52) | TACR1RIPK1GRM5HSP90AA1HSP90AB1 | |
| SCHEMBL5414345 | 0.83 | TACR1 (0.44) | TACR1 | |
| SCHEMBL29892075 | 0.82 | AGTR2 (0.47) | RIPK1 | |
| SCHEMBL5411632 | 0.82 | TACR1 (0.58) | TACR1 | |
| SCHEMBL6800492 | 0.82 | TACR1 (0.53) | TACR1 | |
| SCHEMBL5409127 | 0.82 | TACR1 (0.53) | TACR1 | |
| Maleic Acid SCHEMBL30145281 | 0.81 | TACR1 (0.47) | TACR1RIPK1GRM5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377558-A1 | [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002081457-A1 | `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2002-10-17 | — | — | WO | disclosed |