Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | GBA1 | P04062 | 4/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GLB1 | P16278 | 2/20 | 0.35 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829832 | 0.92 | CXCR4 (0.53) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL15155327 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL11648543 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL9751519 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL3129740 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL28114318 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL10797222 | 0.89 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL9187514 | 0.87 | CXCR4 (0.44) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL8200564 | 0.87 | CXCR4 (0.44) | CXCR4S1PR1S1PR3GBA1SPHK1 | |
| SCHEMBL21010237 | 0.86 | CXCR4 (0.42) | CXCR4S1PR1S1PR3GBA1SPHK1 |
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 |