Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MLLT1 | Q03111 | 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 | |
|---|---|---|---|---|
| SCHEMBL4069591 | 0.89 | PIN1 (0.63) | PIN1GRIN1GRIN2BPTGDR2ALDH1A1 | |
| SCHEMBL23459074 | 0.82 | PIN1 (0.46) | PIN1MAPK10GRIN1GRIN2BKDM4E | |
| SCHEMBL7653718 | 0.82 | TDP1 (0.47) | PIN1MAPK10GRIN1GRIN2BCYP19A1 | |
| SCHEMBL3378268 | 0.82 | HSD17B10 (0.63) | PIN1MAPK10GRIN1GRIN2BKDM4E | |
| SCHEMBL9063730 | 0.82 | GRIN1 (0.51) | PIN1MAPK10GRIN1GRIN2BCYP19A1 | |
| SCHEMBL7368698 | 0.81 | RAB9A (0.64) | PIN1MAPK10KDM4EIRAK4HSD17B10 | |
| SCHEMBL7765425 | 0.79 | DDAH1 (0.53) | PIN1MAPK10GRIN1GRIN2BCYP19A1 | |
| SCHEMBL4889180 | 0.79 | CACNA1H (0.46) | PIN1MAPK10GRIN1GRIN2BCYP19A1 | |
| SCHEMBL485969 | 0.79 | GRIN1 (0.43) | PIN1MAPK10GRIN1GRIN2BKDM4E | |
| SCHEMBL3391736 | 0.79 | GRIN1 (0.43) | PIN1MAPK10GRIN1GRIN2BCYP19A1 |
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-1539754-A4 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1539754-A2 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | Chiron Corporation (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018419-A2 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | CHIRON CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |