Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4725538 | 0.87 | PLG (0.33) | CXCR4PLG | |
| SCHEMBL4725540 | 0.87 | PLG (0.33) | CXCR4PLG | |
| SCHEMBL10219095 | 0.87 | PLG (0.33) | CXCR4PLG | |
| SCHEMBL8203610 | 0.85 | CXCR4 (0.33) | CXCR4PLG | |
| Hydrochloric Acid SCHEMBL3859764 | 0.85 | PLG (0.33) | CXCR4PLG | |
| SCHEMBL30439003 | 0.80 | CXCR4 (0.44) | CXCR4 | |
| SCHEMBL7118792 | 0.77 | — | — | |
| SCHEMBL7118799 | 0.77 | — | — | |
| SCHEMBL12089908 | 0.76 | — | — | |
| SCHEMBL4443413 | 0.76 | — | — |
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 |