Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 1.00 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL8936475 | 0.90 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936457 | 0.85 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936559 | 0.84 | TACR1 (0.90) | TACR1 | |
| SCHEMBL8936521 | 0.82 | TACR1 (0.72) | TACR1 | |
| SCHEMBL8936548 | 0.82 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936495 | 0.81 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936604 | 0.81 | TACR1 (0.76) | TACR1 | |
| SCHEMBL8936445 | 0.80 | TACR1 (0.83) | TACR1CA12CA1CA2CA9 | |
| SCHEMBL8936555 | 0.80 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936576 | 0.79 | TACR1 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-5523305-A | ANALGESICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-04 | — | — | US | claimed |
| EP-0566069-A1 | Tachykinin receptor antagonists, isoquinolones and their production | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | claimed |
| US-5523305-A | ANALGESICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0566069-A1 | Tachykinin receptor antagonists, isoquinolones and their production | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | disclosed |