Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.30 |
| ▸ | LMNA | P02545 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | SHBG | P04278 | 2/20 | 0.30 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8927275 | 0.89 | AR (0.37) | ARKCNH2SRD5A2GPBAR1CYP3A4 | |
| SCHEMBL8927169 | 0.84 | G6PD (0.36) | ARKCNH2SRD5A2G6PD | |
| SCHEMBL8927181 | 0.81 | SRD5A2 (0.35) | ARKCNH2SRD5A2CYP19A1 | |
| SCHEMBL8927033 | 0.81 | AR (0.36) | ARKCNH2SRD5A2CYP19A1GPBAR1 | |
| SCHEMBL8926946 | 0.80 | ESR1 (0.33) | ARKCNH2SRD5A2 | |
| SCHEMBL8927180 | 0.79 | AR (0.36) | ARKCNH2SRD5A2 | |
| SCHEMBL8927002 | 0.78 | AR (0.39) | ARKCNH2SRD5A2GPBAR1LMNA | |
| SCHEMBL8926813 | 0.77 | SRD5A2 (0.34) | ARKCNH2SRD5A2 | |
| SCHEMBL8926912 | 0.77 | SRD5A2 (0.34) | ARKCNH2SRD5A2MAPK1NFKB1 | |
| SCHEMBL8925443 | 0.76 | AR (0.34) | ARKCNH2SRD5A2LMNAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |