Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | IKBKB | O14920 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28640002 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL1509510 | 0.81 | KDM4E (0.71) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL1509430 | 0.81 | KDM4E (0.71) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL22300399 | 0.78 | DUSP10 (0.70) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL30112815 | 0.78 | KDM4E (0.66) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL1509424 | 0.77 | KDM4E (0.70) | KDM4EALDH1A1HTTMAPTIKBKB | |
| Hydrochloric Acid SCHEMBL8565531 | 0.77 | KDM4E (0.66) | KDM4EALDH1A1HTTMAPTIKBKB | |
| SCHEMBL7513198 | 0.77 | KDM4E (0.59) | KDM4EALDH1A1HTTMAPTIKBKB | |
| Hydrochloric Acid SCHEMBL7513962 | 0.74 | ALDH1A1 (0.62) | KDM4EALDH1A1HTTMAPTIKBKB | |
| Hydrochloric Acid SCHEMBL7517322 | 0.74 | IKBKB (0.80) | KDM4EALDH1A1HTTMAPTIKBKB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0856001-B1 | PYRIMIDINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2002-08-28 | — | — | EP | disclosed |
| EP-0856001-A1 | PYRIMIDINE DERIVATIVES AS 5HT 2C?-RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-08-05 | — | — | EP | disclosed |
| US-5753663-A | 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM | SYNTEX (U.S.A.) INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997012880-A1 | PYRIMIDINE DERIVATIVES AS 5HT2C-RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 1997-04-10 | — | — | WO | disclosed |