Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | GRK5 | P34947 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7190390 | 0.92 | TACR1 (0.54) | TACR1 | |
| SCHEMBL8322669 | 0.86 | TACR1 (0.52) | TACR1 | |
| SCHEMBL8328424 | 0.86 | TACR1 (0.52) | TACR1 | |
| SCHEMBL5297374 | 0.82 | TACR1 (0.64) | TACR1 | |
| SCHEMBL5297365 | 0.82 | TACR1 (0.64) | TACR1 | |
| SCHEMBL5282860 | 0.82 | TACR1 (0.64) | TACR1 | |
| SCHEMBL7180363 | 0.81 | TACR1 (0.65) | TACR1 | |
| SCHEMBL7180360 | 0.81 | TACR1 (0.65) | TACR1 | |
| SCHEMBL7186144 | 0.81 | TACR1 (0.47) | TACR1 | |
| SCHEMBL7182090 | 0.79 | TACR1 (0.65) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322596-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002024629-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | WO | claimed |
| EP-1322596-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024629-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | WO | disclosed |