Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294876 | 0.92 | HRH3 (0.41) | CYP2D6CYP3A4CYP1A2HRH3CYP2C9 | |
| SCHEMBL64926 | 0.87 | — | — | |
| SCHEMBL7500298 | 0.85 | CYP3A4 (0.42) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL310787 | 0.85 | CYP3A4 (0.42) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| SCHEMBL30945055 | 0.85 | CYP3A4 (0.42) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| SCHEMBL15880175 | 0.80 | CYP3A4 (0.39) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| Acetamide SCHEMBL9934071 | 0.78 | CCNC (0.37) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| Urea SCHEMBL15380857 | 0.77 | ALDH1A1 (0.38) | CYP2D6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| Formaldoxime SCHEMBL4910460 | 0.77 | CYP3A4 (0.37) | CYP2D6CYP3A4HRH3CYP2C9CYP2C19 | |
| SCHEMBL21880111 | 0.70 | SMN1; SMN2 (0.45) | CYP2D6CYP3A4CYP1A2CYP2C9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109789135-A | ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-05-21 | — | — | CN | disclosed |