Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 16/20 | 0.43 |
| ▸ | DHFR | P00374 | 7/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7515343 | 0.84 | TYMS (0.42) | TYMSDHFR | |
| SCHEMBL7515639 | 0.82 | TYMS (0.51) | TYMSDHFRAOC3 | |
| SCHEMBL7512558 | 0.81 | RXFP1 (0.50) | TYMSDHFR | |
| SCHEMBL7524669 | 0.77 | TYMS (0.51) | TYMSDHFR | |
| SCHEMBL5204052 | 0.71 | SMN1; SMN2 (0.42) | TYMS | |
| SCHEMBL23339220 | 0.71 | NOS1 (0.40) | TYMSAOC3 | |
| SCHEMBL13039021 | 0.69 | NOS1 (0.42) | TYMSDHFRAOC3 | |
| SCHEMBL7514845 | 0.69 | TYMS (0.42) | TYMSDHFRAOC3 | |
| SCHEMBL3445980 | 0.66 | — | — | |
| SCHEMBL7515297 | 0.66 | ITGB2 (0.50) | TYMSDHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165522-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | Krenitsky Pharmaceuticals, Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059893-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | KRENITSKY PHARMACEUTICALS INC. (US) | 2000-10-12 | — | — | WO | disclosed |