Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 10/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 6/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HSD3B1 | P14060 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8023955 | 0.89 | MBOAT4 (0.45) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 | |
| SCHEMBL8020270 | 0.85 | SRD5A1 (0.42) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 | |
| SCHEMBL8020973 | 0.81 | MBOAT4 (0.41) | MBOAT4CYP19A1SRD5A1SRD5A2LMNA | |
| SCHEMBL8023129 | 0.79 | MBOAT4 (0.45) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 | |
| SCHEMBL8016784 | 0.78 | MBOAT4 (0.42) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 | |
| SCHEMBL8021081 | 0.77 | MBOAT4 (0.44) | MBOAT4CYP19A1SHBGSRD5A1STS | |
| SCHEMBL8016925 | 0.77 | MBOAT4 (0.43) | MBOAT4CYP19A1SRD5A1SRD5A2 | |
| SCHEMBL5109022 | 0.75 | MBOAT4 (0.51) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 | |
| SCHEMBL9708876 | 0.72 | SRD5A1 (0.42) | MBOAT4SRD5A1SRD5A2 | |
| SCHEMBL8019044 | 0.72 | MBOAT4 (0.35) | MBOAT4CYP19A1SHBGSRD5A1SRD5A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0664812-B1 | 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES | MERCK & CO INC (US) | 2000-01-05 | — | — | EP | claimed |