Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 11/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14668885 | 0.75 | CYP3A4 (0.50) | IDO1CYP11B1CYP11B2HTTCYP3A4 | |
| SCHEMBL29780993 | 0.74 | HTT (0.39) | HTTPDE10A | |
| SCHEMBL29780049 | 0.72 | HTT (0.46) | HTTPDE10A | |
| SCHEMBL12075152 | 0.72 | IDO1 (0.54) | IDO1CYP11B1CYP11B2CYP3A4CYP2E1 | |
| SCHEMBL31186471 | 0.70 | CYP11B1 (0.53) | IDO1CYP11B1CYP11B2CYP3A4CYP2D6 | |
| SCHEMBL22092723 | 0.70 | CYP11B1 (0.53) | IDO1CYP11B1CYP11B2CYP3A4CYP2D6 | |
| SCHEMBL1908405 | 0.70 | IDO1 (0.58) | IDO1CYP3A4 | |
| SCHEMBL15124655 | 0.69 | IDO1 (0.48) | IDO1CYP3A4CYP2E1CYP2D6CYP2A6 | |
| SCHEMBL16655881 | 0.69 | NISCH (0.48) | IDO1CYP3A4 | |
| SCHEMBL16655879 | 0.69 | IDO1 (0.48) | IDO1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4933447-A | FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SS PHARMACEUTICAL CO., LTD. (JP) | 1990-06-12 | — | — | US | claimed |
| US-4933447-A | FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SS PHARMACEUTICAL CO., LTD. (JP) | 1990-06-12 | — | — | US | disclosed |
| EP-0308897-A1 | Quinoline derivatives | SS PHARMACEUTICAL CO., LTD. (JP) | 1989-03-29 | — | — | EP | disclosed |