Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.32 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.32 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.32 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.32 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.32 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.32 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.32 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.32 |
| ▸ | CTSV | O60911 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633124 | 0.87 | SRD5A1 (0.33) | CYP19A1SRD5A1SRD5A2 | |
| SCHEMBL8524211 | 0.86 | SRD5A1 (0.34) | CYP19A1SRD5A1SRD5A2 | |
| SCHEMBL8522986 | 0.83 | SRD5A1 (0.35) | SRD5A1SRD5A2 | |
| SCHEMBL8523652 | 0.83 | SRD5A1 (0.33) | SRD5A1SRD5A2 | |
| SCHEMBL8639064 | 0.83 | SRD5A1 (0.34) | SRD5A1SRD5A2 | |
| SCHEMBL8637459 | 0.83 | ALDH1A1 (0.35) | SRD5A1SRD5A2 | |
| SCHEMBL8642307 | 0.80 | SRD5A1 (0.32) | SRD5A1SRD5A2 | |
| SCHEMBL8996754 | 0.80 | SRD5A1 (0.31) | SRD5A1SRD5A2 | |
| SCHEMBL8632775 | 0.79 | — | — | |
| SCHEMBL8677090 | 0.79 | CHRNB2 (0.32) | SRD5A1SRD5A2GRIN1GRIN2B |
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 |