Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL13686256 | 0.95 | TACR1 (0.74) | TACR1GPBAR1 | |
| SCHEMBL29467378 | 0.90 | TACR1 (1.00) | TACR1GPBAR1 | |
| SCHEMBL905330 | 0.90 | TACR1 (1.00) | TACR1GPBAR1 | |
| Hydrochloric Acid SCHEMBL905341 | 0.89 | TACR1 (0.98) | TACR1GPBAR1 | |
| SCHEMBL6637377 | 0.87 | TACR1 (0.83) | TACR1 | |
| SCHEMBL17762929 | 0.87 | TACR1 (0.94) | TACR1GPBAR1 | |
| Hydrochloric Acid SCHEMBL905337 | 0.87 | TACR1 (0.81) | TACR1 | |
| SCHEMBL6021041 | 0.86 | TACR1 (0.78) | TACR1 | |
| SCHEMBL3880526 | 0.86 | TACR1 (0.61) | TACR1GPBAR1 | |
| SCHEMBL17263543 | 0.86 | TACR1 (0.92) | TACR1GPBAR1 |
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-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |