Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.63 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.56 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.51 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10691725 | 0.91 | GPBAR1 (0.61) | GPBAR1CYP3A4NR1H4LMNAKMT2A | |
| SCHEMBL10520272 | 0.91 | GPBAR1 (0.67) | GPBAR1CYP3A4NR1H4PDE3ALMNA | |
| SCHEMBL10525788 | 0.88 | GPBAR1 (0.63) | GPBAR1CYP3A4NR1H4LMNAKMT2A | |
| SCHEMBL10613228 | 0.88 | GPBAR1 (0.71) | GPBAR1CYP3A4NR1H4PDE3ALMNA | |
| SCHEMBL10522119 | 0.86 | CA1 (0.58) | GPBAR1CYP3A4NR1H4PDE3AKMT2A | |
| SCHEMBL10520513 | 0.86 | GPBAR1 (0.73) | GPBAR1CYP3A4NR1H4PDE3ALMNA | |
| SCHEMBL10521010 | 0.86 | GPBAR1 (0.64) | GPBAR1NR1H4PDE3ALMNAKMT2A | |
| SCHEMBL742923 | 0.85 | GPBAR1 (0.65) | GPBAR1CYP3A4NR1H4PDE3ALMNA | |
| SCHEMBL23231225 | 0.85 | GPBAR1 (0.83) | GPBAR1CYP3A4NR1H4PDE3ALMNA | |
| SCHEMBL21114412 | 0.85 | GPBAR1 (0.83) | GPBAR1CYP3A4NR1H4PDE3ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4810422-A | CARCINOSTATS OF LOW TOXICITY | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1989-03-07 | — | — | US | disclosed |
| EP-0259185-A1 | Bile acid derivatives, their salts and production thereof | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1988-03-09 | — | — | EP | disclosed |