Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.56 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TNKS | O95271 | 1/20 | 0.54 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6601755 | 1.00 | PARP1 (0.56) | PARP1PARP3SMN1; SMN2TNKSTNKS2 | |
| SCHEMBL6167453 | 0.83 | ITGB3 (0.46) | PARP1PARP3PIN1IDO1TDO2 | |
| SCHEMBL5406933 | 0.82 | PIN1 (0.61) | SMN1; SMN2PIN1ITGB3ITGA2BITGAV | |
| SCHEMBL5406941 | 0.82 | PIN1 (0.61) | SMN1; SMN2PIN1ITGB3ITGA2BITGAV | |
| SCHEMBL6614295 | 0.80 | BRD4 (0.53) | PARP1PARP3SMN1; SMN2TNKSTNKS2 | |
| SCHEMBL6528186 | 0.78 | PIN1 (0.59) | PARP1PARP3SMN1; SMN2KDM4EPIN1 | |
| SCHEMBL219151 | 0.77 | TACR1 (0.68) | CTSLCTSBCTSSCTSKITGB3 | |
| SCHEMBL7372270 | 0.77 | TACR1 (0.68) | CTSLCTSBCTSSCTSKITGB3 | |
| SCHEMBL220648 | 0.77 | TACR1 (0.68) | CTSLCTSBCTSSCTSKITGB3 | |
| SCHEMBL479010 | 0.77 | TACR1 (0.68) | CTSLCTSBCTSSCTSKITGB3 |
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-1389205-A1 | QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical Research Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002081467-A1 | QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-10-17 | — | — | WO | disclosed |