Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29714350 | 0.82 | KDM4E (0.59) | HDAC1MAPK8MAPK1HDAC3HDAC2 | |
| SCHEMBL31736992 | 0.81 | MAPK1 (0.64) | HDAC1MAPK8IKBKBMAPK1HRH3 | |
| SCHEMBL31736623 | 0.81 | IGF1R (0.46) | HDAC1MAPK8IKBKBMAPK1HDAC3 | |
| SCHEMBL31619957 | 0.81 | MAPK1 (0.64) | HDAC1MAPK8IKBKBMAPK1HDAC3 | |
| SCHEMBL4701457 | 0.81 | IGF1R (0.46) | HDAC1MAPK8IKBKBMAPK1HDAC3 | |
| SCHEMBL13015030 | 0.80 | HDAC1 (0.53) | HDAC1MAPK8IKBKBHDAC3HDAC2 | |
| SCHEMBL29763119 | 0.79 | KDM4E (0.48) | MAPK8IKBKBMAPK1HRH3CYP1A2 | |
| SCHEMBL1073617 | 0.79 | KDM4E (0.64) | MAPK8IKBKBMAPK1HRH3CDK1 | |
| Hydrochloric Acid SCHEMBL3774411 | 0.78 | HDAC1 (0.52) | HDAC1MAPK8IKBKBHDAC3HDAC2 | |
| SCHEMBL30423180 | 0.78 | HDAC1 (0.52) | HDAC1MAPK8MAPK1HDAC3HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |