Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.35 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.35 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.35 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.35 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.35 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL4557413 | 0.80 | SRD5A1 (0.32) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL4728085 | 0.77 | CDK5 (0.34) | CDK5CDK5R1SRD5A1CYP19A1 | |
| SCHEMBL8523978 | 0.74 | HSD17B7 (0.43) | SRD5A1SRD5A2CYP19A1 | |
| SCHEMBL917618 | 0.71 | SRD5A1 (0.48) | SRD5A1SRD5A2 | |
| SCHEMBL7802581 | 0.71 | SRD5A1 (0.58) | SRD5A1SRD5A2 | |
| SCHEMBL7527164 | 0.71 | SRD5A1 (0.58) | SRD5A1SRD5A2 | |
| SCHEMBL8996745 | 0.70 | SRD5A1 (0.34) | SRD5A1SRD5A2 | |
| SCHEMBL8996742 | 0.70 | SRD5A1 (0.34) | SRD5A1SRD5A2 | |
| SCHEMBL8679404 | 0.68 | CYP19A1 (0.39) | CDK5CDK5R1SRD5A1SRD5A2CYP19A1 | |
| SCHEMBL8075000 | 0.68 | SRD5A1 (0.57) | SRD5A1SRD5A2 |
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 | claimed |
| EP-0786999-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-08-06 | — | — | EP | claimed |
| WO-1996012487-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | claimed |