Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 9/20 | 0.56 |
| ▸ | HTR6 | P50406 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712449 | 0.89 | HTR6 (0.56) | HRH4HTR6KCNH2HRH3DHFR | |
| SCHEMBL7708547 | 0.89 | HTR6 (0.56) | HRH4HTR6KCNH2HRH3DHFR | |
| SCHEMBL7708456 | 0.89 | HRH4 (0.55) | HRH4HTR6KCNH2HRH3 | |
| SCHEMBL7714603 | 0.88 | HRH4 (0.57) | HRH4HTR6KCNH2HRH3 | |
| SCHEMBL7708459 | 0.88 | ALDH1A1 (0.44) | HRH4HTR6DHFR | |
| SCHEMBL7712480 | 0.87 | KMT2A (0.45) | HRH4HTR6DHFR | |
| SCHEMBL7716594 | 0.86 | HTR6 (0.58) | HRH4HTR6DHFR | |
| SCHEMBL7713555 | 0.86 | HRH4 (0.52) | HRH4HTR6KCNH2HRH3 | |
| SCHEMBL5203003 | 0.85 | DHFR (0.40) | DHFR | |
| SCHEMBL7714255 | 0.85 | SMN1; SMN2 (0.53) | 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 |