Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7716575 | 0.86 | DHFR (0.62) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7712441 | 0.84 | DHFR (0.60) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL8138389 | 0.84 | DHFR (0.42) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7708572 | 0.83 | DHFR (0.57) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7708566 | 0.83 | SMN1; SMN2 (0.58) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7714288 | 0.79 | DHFR (0.39) | DHFR | |
| SCHEMBL7714574 | 0.78 | DHFR (0.41) | DHFR | |
| SCHEMBL7712353 | 0.77 | RPS6KB1 (0.41) | DHFR | |
| Trimethoprim SCHEMBL24506 | 0.75 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL2637561 | 0.75 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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 |