Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 5/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | OSBP | P22059 | 1/20 | 0.36 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724834 | 0.82 | SRD5A2 (0.41) | SRD5A2SRD5A1GPBAR1NPC1L1FNTA | |
| SCHEMBL8079264 | 0.81 | NR1H4 (0.40) | SRD5A2SRD5A1GPBAR1NPC1L1FNTA | |
| SCHEMBL8722384 | 0.80 | FNTA (0.35) | SRD5A2SRD5A1GPBAR1NPC1L1FNTA | |
| SCHEMBL8497746 | 0.79 | GPBAR1 (0.36) | SRD5A2GPBAR1FNTAFNTB | |
| SCHEMBL9113792 | 0.76 | GPBAR1 (0.36) | SRD5A2SRD5A1GPBAR1VDR | |
| SCHEMBL8073300 | 0.76 | SRD5A1 (0.69) | SRD5A2SRD5A1 | |
| SCHEMBL8073303 | 0.76 | SRD5A1 (0.69) | SRD5A2SRD5A1 | |
| SCHEMBL8063840 | 0.75 | GPBAR1 (0.37) | SRD5A2GPBAR1FNTAFNTB | |
| SCHEMBL8075347 | 0.75 | SHBG (0.51) | SRD5A2GPBAR1 | |
| SCHEMBL8075351 | 0.75 | SHBG (0.51) | SRD5A2GPBAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641204-A4 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0641204-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | disclosed |