Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17961848 | 0.89 | CCNT1 (0.41) | IGF1RMAPK1HRH3CDK2 | |
| SCHEMBL17961847 | 0.89 | CCNT1 (0.41) | IGF1RMAPK1HRH3CDK2 | |
| SCHEMBL248829 | 0.86 | MAPK1 (0.48) | MAPK8MAPK1HDAC1HDAC3HDAC2 | |
| Hydrochloric Acid SCHEMBL1669811 | 0.84 | MAPK1 (0.47) | MAPK8MAPK1HDAC1HDAC3HDAC2 | |
| SCHEMBL10187962 | 0.82 | KDM4E (0.53) | MAPK8MAPK1HDAC1HDAC3HDAC2 | |
| SCHEMBL12237657 | 0.82 | KDM4E (0.59) | MAPK1HDAC1HDAC3HDAC2HDAC6 | |
| SCHEMBL14397338 | 0.81 | HDAC1 (0.45) | IGF1RMAPK8IKBKBMAPK1HDAC1 | |
| SCHEMBL31736992 | 0.81 | MAPK1 (0.64) | IGF1RMAPK8IKBKBMAPK1HDAC1 | |
| SCHEMBL31619957 | 0.81 | MAPK1 (0.64) | IGF1RMAPK8IKBKBMAPK1HDAC1 | |
| SCHEMBL31736623 | 0.81 | IGF1R (0.46) | IGF1RMAPK8IKBKBMAPK1HDAC1 |
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-2001867-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |