Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | TACR2 | P21452 | 1/20 | 0.69 |
| ▸ | TACR3 | P29371 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4985981 | 1.00 | TACR1 (0.86) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3172477 | 1.00 | TACR1 (0.86) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3177439 | 1.00 | TACR1 (0.86) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3182518 | 1.00 | TACR1 (0.86) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3182841 | 1.00 | TACR1 (0.86) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12646229 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12646284 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14360638 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12646074 | 0.92 | TACR1 (0.85) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12646245 | 0.90 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7345083-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2008-03-18 | — | — | US | disclosed |
| EP-1711465-B1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-12-26 | — | — | EP | disclosed |