Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TACR2 | P21452 | 1/20 | 0.60 |
| ▸ | TACR3 | P29371 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4985872 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12646290 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4985877 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12902066 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4991602 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14361057 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3172961 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3167448 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3176573 | 1.00 | TACR1 (1.00) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL3167453 | 1.00 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7645790-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-01-12 | — | — | US | disclosed |