Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | FPR2 | P25090 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | MYLK | Q15746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.40 |
| ▸ | THPO | P40225 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326901 | 0.82 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL7318628 | 0.80 | PRKCG (0.61) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19922703 | 0.80 | PTGS2 (0.53) | CYP3A4CYP2C19CYP2D6MTORHSD17B10 | |
| SCHEMBL10814447 | 0.78 | TP53 (0.40) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL2909004 | 0.77 | CYP3A4 (0.60) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9193448 | 0.77 | CYP3A4 (0.51) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL2909360 | 0.76 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5497544 | 0.76 | CYP3A4 (0.50) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL2907790 | 0.75 | CYP3A4 (0.49) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL2910807 | 0.74 | CYP3A4 (0.51) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 |
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-0187371-B1 | SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-06-19 | — | — | EP | disclosed |
| US-4678783-A | CARDIOVASCULAR DISORDERS, HYPOTENSIVES, ARTERIOSCLEROSIS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1987-07-07 | — | — | US | disclosed |
| EP-0187371-A2 | Substituted isoquinolinesulfonyl compounds | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1986-07-16 | — | — | EP | disclosed |