Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SDHB | P21912 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5749589 | 0.85 | DHFR (0.47) | KDM4EHSD17B10ALDH1A1LMNAKCNQ3 | |
| SCHEMBL29861015 | 0.82 | HSP90AA1 (0.51) | HSD17B10ALDH1A1LMNAHSP90AA1HSP90AB1 | |
| SCHEMBL7377883 | 0.79 | DHFR (0.49) | HSD17B10ALDH1A1LMNAHSP90AA1HSP90AB1 | |
| SCHEMBL2560498 | 0.78 | LMNA (0.45) | KDM4EHSD17B10ALDH1A1LMNAPOLB | |
| SCHEMBL19805783 | 0.78 | MEN1 (0.42) | KDM4EHSD17B10ALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL5749719 | 0.78 | DHFR (0.47) | HSD17B10ALDH1A1LMNAHSP90AA1HSP90AB1 | |
| SCHEMBL5749587 | 0.76 | HSP90AA1 (0.73) | KDM4ELMNAHSP90AA1HSP90AB1DHFR | |
| SCHEMBL5750835 | 0.76 | MEN1 (0.48) | KDM4EHSD17B10ALDH1A1LMNAHSP90AA1 | |
| SCHEMBL5748593 | 0.76 | ADORA2A (0.67) | KDM4EHSD17B10ALDH1A1LMNAHSP90AA1 | |
| SCHEMBL5746670 | 0.76 | HSP90AA1 (0.60) | KDM4EALDH1A1HSP90AA1HSP90AB1DHFR |
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 9 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 |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | 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 |