Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | KIT | P10721 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708466 | 0.85 | SMN1; SMN2 (0.55) | MAPTHRH4HRH1HTR3AHTR6 | |
| SCHEMBL7714603 | 0.85 | HRH4 (0.57) | HRH4HRH1HTR6 | |
| SCHEMBL7708464 | 0.84 | KDM4E (0.54) | TSHRMAPTMAPK1ACHEALDH1A1 | |
| SCHEMBL7714106 | 0.83 | HRH4 (0.51) | TSHRMAPTMAPK1HRH4HRH1 | |
| SCHEMBL7708468 | 0.76 | LMNA (0.46) | TSHRMAPTMAPK1KMT2AHRH4 | |
| SCHEMBL16662387 | 0.74 | POLB (0.48) | TSHRKMT2AHRH1ACHEALDH1A1 | |
| SCHEMBL7714282 | 0.74 | HRH4 (0.56) | HRH4HTR6 | |
| SCHEMBL7714255 | 0.74 | SMN1; SMN2 (0.53) | MAPTHRH4HRH1HTR3AHTR6 | |
| SCHEMBL7714720 | 0.74 | HRH4 (0.52) | TSHRMAPK1HRH4HTR6ALDH1A1 | |
| SCHEMBL17262278 | 0.73 | HRH4 (0.52) | TSHRMAPK1KMT2AHRH4HTR6 |
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 |