Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 12/20 | 0.58 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2167151 | 0.86 | HRH4 (0.61) | HRH4HRH3DHFRCYP1A2CYP3A4 | |
| SCHEMBL7708469 | 0.85 | ROCK2 (0.49) | HRH4DHFRKMT2AHSD17B10 | |
| SCHEMBL8124120 | 0.84 | HTR6 (0.45) | HRH4HTR6HRH3CYP1A2CYP3A4 | |
| SCHEMBL7714561 | 0.84 | KDM4E (0.56) | DHFRMAPK1 | |
| SCHEMBL8136827 | 0.79 | CYP1A2 (0.41) | HRH4KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7278447 | 0.78 | PTPN11 (0.59) | HRH4CYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL7708416 | 0.78 | HRH4 (0.55) | HRH4HTR6HRH3DHFR | |
| SCHEMBL7712449 | 0.78 | HTR6 (0.56) | HRH4HTR6HRH3DHFR | |
| SCHEMBL7716650 | 0.77 | HRH4 (0.53) | HRH4HTR6HRH3 | |
| SCHEMBL7714283 | 0.76 | HRH4 (0.57) | HRH4HTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025091-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM | Krenitsky Pharmaceuticals, Inc. (US) | 2000-08-09 | — | — | EP | claimed |
| WO-1999019305-A2 | SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM | KRENITSKY PHARMACEUTICALS INC. (US) | 1999-04-22 | — | — | WO | claimed |
| US-6440965-B1 | Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system | KRENITSKY PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |