Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328466 | 0.87 | STS (0.33) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8332939 | 0.75 | CDK5 (0.42) | CDK5CDK5R1MBOAT4CYP19A1NR1I3 | |
| SCHEMBL8586469 | 0.74 | CDK5 (0.37) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8586472 | 0.74 | CDK5 (0.37) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8585044 | 0.72 | CDK5 (0.36) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8585049 | 0.72 | CDK5 (0.36) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8582196 | 0.70 | GRIN1 (0.36) | CDK5CDK5R1STSNR1I3GRIN1 | |
| SCHEMBL8582194 | 0.70 | GRIN1 (0.36) | CDK5CDK5R1STSNR1I3GRIN1 | |
| SCHEMBL8584763 | 0.70 | MBOAT4 (0.33) | CDK5CDK5R1STSMBOAT4CYP19A1 | |
| SCHEMBL8584766 | 0.70 | MBOAT4 (0.33) | CDK5CDK5R1STSMBOAT4CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786999-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0786999-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996012487-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |