Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.49 |
| ▸ | GLB1 | P16278 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24556394 | 0.94 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4SIGMAR1 | |
| SCHEMBL18848906 | 0.92 | S1PR1 (0.54) | S1PR1S1PR3S1PR5S1PR4SIGMAR1 | |
| SCHEMBL18506727 | 0.86 | S1PR1 (0.49) | S1PR1S1PR3S1PR5S1PR4GLB1 | |
| SCHEMBL12674147 | 0.86 | S1PR4 (0.36) | S1PR1S1PR3S1PR5S1PR4DRD2 | |
| SCHEMBL24179174 | 0.80 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4SIGMAR1 | |
| SCHEMBL19159867 | 0.78 | OPRM1 (0.57) | S1PR1S1PR3S1PR5S1PR4OPRM1 | |
| SCHEMBL20858257 | 0.78 | S1PR1 (0.54) | S1PR1S1PR3S1PR5S1PR4SIGMAR1 | |
| SCHEMBL9946182 | 0.77 | S1PR1 (0.47) | S1PR1S1PR3S1PR5S1PR4GLB1 | |
| SCHEMBL4974168 | 0.77 | — | — | |
| SCHEMBL20755619 | 0.76 | GBA1 (0.36) | S1PR1S1PR3S1PR5S1PR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3130592-B1 | ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS | HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) | 2019-08-14 | — | — | EP | disclosed |
| EP-3130592-A1 | ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-02-15 | — | — | EP | disclosed |