Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | GLB1 | P16278 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832749 | 0.92 | CXCR4 (0.50) | CXCR4GLB1S1PR1S1PR3GBA1 | |
| SCHEMBL2456153 | 0.88 | CXCR4 (0.47) | CXCR4GBA1 | |
| SCHEMBL3021251 | 0.88 | CXCR4 (0.44) | CXCR4GLB1CYP1A2S1PR1S1PR3 | |
| SCHEMBL6298213 | 0.88 | CXCR4 (0.44) | CXCR4GLB1CYP1A2S1PR1S1PR3 | |
| SCHEMBL2417776 | 0.88 | CXCR4 (0.44) | CXCR4GLB1CYP1A2S1PR1S1PR3 | |
| SCHEMBL1638947 | 0.82 | CXCR4 (0.42) | CXCR4GLB1S1PR1S1PR3GBA1 | |
| SCHEMBL21010237 | 0.82 | CXCR4 (0.42) | CXCR4GLB1S1PR1S1PR3GBA1 | |
| Undecane SCHEMBL27259638 | 0.81 | CXCR4 (0.45) | CXCR4GLB1S1PR1S1PR3GBA1 | |
| SCHEMBL9751519 | 0.80 | S1PR1 (0.42) | CXCR4GLB1S1PR1S1PR3GBA1 | |
| SCHEMBL18600271 | 0.80 | CXCR4 (0.53) | CXCR4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083599-B1 | PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK | HOFFMANN LA ROCHE (CH) | 2020-07-01 | — | — | EP | disclosed |
| EP-3216784-A1 | PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2017-09-13 | — | — | EP | disclosed |
| 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 |