Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 3/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7716757 | 0.92 | DHFR (0.46) | KDM4ENPC1HRH4DHFRPKM | |
| SCHEMBL7708459 | 0.89 | ALDH1A1 (0.44) | HTR6HRH4DHFRTLR9TLR7 | |
| SCHEMBL7714507 | 0.88 | HRH4 (0.40) | KDM4EHRH4DHFRTLR9TLR7 | |
| SCHEMBL7712449 | 0.88 | HTR6 (0.56) | HTR6HRH4DHFR | |
| SCHEMBL7714413 | 0.86 | ROCK2 (0.44) | HTR6HRH4DHFR | |
| SCHEMBL7714116 | 0.83 | DHFR (0.50) | KDM4EHTTDHFRPKM | |
| SCHEMBL7714407 | 0.83 | HTR6 (0.41) | HTR6HRH4DHFR | |
| SCHEMBL5204607 | 0.82 | DHFR (0.40) | HTR6DHFR | |
| SCHEMBL7708422 | 0.81 | TSHR (0.44) | KDM4EMAPK1HRH4TLR9TLR7 | |
| SCHEMBL7712353 | 0.81 | RPS6KB1 (0.41) | HTR6DHFR |
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 |