Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.73 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | PAK4 | O96013 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | GRK5 | P34947 | 1/20 | 0.52 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.52 |
| ▸ | CDK8 | P49336 | 1/20 | 0.52 |
| ▸ | CLK2 | P49760 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CDK7 | P50613 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328709 | 0.98 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| Hydrochloric Acid SCHEMBL5748225 | 0.98 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| SCHEMBL29861015 | 0.86 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1CDC7CDK9DHFR | |
| SCHEMBL3950560 | 0.84 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| SCHEMBL17412408 | 0.83 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1KDM4EGSK3BCDK5 | |
| SCHEMBL7377883 | 0.83 | DHFR (0.49) | HSP90AA1HSP90AB1CDC7CDK9DYRK1A | |
| SCHEMBL12579954 | 0.83 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1KDM4EGSK3BCDK5 | |
| Hydrochloric Acid SCHEMBL5749719 | 0.81 | DHFR (0.47) | HSP90AA1HSP90AB1CDC7CDK9DYRK1A | |
| SCHEMBL15757397 | 0.80 | CDC7 (0.60) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| SCHEMBL5750835 | 0.80 | MEN1 (0.48) | HSP90AA1HSP90AB1KDM4ECDC7CDK9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| US-5958934-A | 5-HT 2B ANTAGONIST | SYNTEX (U.S.A.) INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952331-A | SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER | SYNTEX (USA) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |