Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3570483 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP2C19CDK4CCND1HRH3 | |
| SCHEMBL13343909 | 0.99 | CYP2D6 (0.44) | CYP2D6CYP2C19CDK4CCND1HRH3 | |
| SCHEMBL3563056 | 0.95 | HRH3 (0.45) | CYP2D6CYP2C19HRH3HRH4MCHR1 | |
| SCHEMBL13343932 | 0.95 | HRH3 (0.45) | CYP2D6CYP2C19HRH3HRH4MCHR1 | |
| SCHEMBL3563059 | 0.95 | HRH3 (0.45) | CYP2D6CYP2C19HRH3HRH4MCHR1 | |
| SCHEMBL13343912 | 0.92 | MCHR1 (0.45) | CYP2D6CYP2C19HRH3FAAHMCHR1 | |
| SCHEMBL3564297 | 0.91 | MCHR1 (0.48) | CYP2D6CYP2C19CDK4CCND1HRH3 | |
| SCHEMBL3564588 | 0.91 | MCHR1 (0.39) | CYP2D6CYP2C19HRH3HRH4MCHR1 | |
| SCHEMBL3564593 | 0.91 | MCHR1 (0.39) | CYP2D6CYP2C19HRH3HRH4MCHR1 | |
| SCHEMBL3566307 | 0.91 | MCHR1 (0.45) | CYP2D6CYP2C19CDK4CCND1HRH3 |
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-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | claimed |