Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL7741691 | 0.83 | SRD5A2 (0.41) | MBOAT4GRIN1GRIN2B | |
| SCHEMBL8523823 | 0.82 | AR (0.38) | AR | |
| SCHEMBL8523105 | 0.80 | SHBG (0.36) | MBOAT4NR1I3ARGRIN1GRIN2B | |
| SCHEMBL7711769 | 0.80 | MBOAT4 (0.38) | MBOAT4CDK5CDK5R1CYP19A1GRIN1 | |
| SCHEMBL27369735 | 0.80 | MBOAT4 (0.39) | MBOAT4CDK5CDK5R1CYP19A1GRIN1 | |
| SCHEMBL5596628 | 0.80 | SRD5A1 (0.54) | — | |
| SCHEMBL4729968 | 0.80 | SRD5A1 (0.54) | — | |
| SCHEMBL8713486 | 0.79 | SRD5A1 (0.41) | MBOAT4GRIN1GRIN2B | |
| SCHEMBL8528297 | 0.78 | HSD17B7 (0.42) | MBOAT4 | |
| SCHEMBL8823339 | 0.78 | MBOAT4 (0.38) | MBOAT4 |
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 6 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-0792371-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1998-12-30 | — | — | EP | disclosed |
| EP-0792371-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-09-03 | — | — | 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 |
| WO-1996012817-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |