Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.40 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7851227 | 0.83 | TYMS (0.38) | TYMSPNPDYRK1A | |
| SCHEMBL7853357 | 0.82 | TYMS (0.51) | TYMSDHFR | |
| SCHEMBL7851991 | 0.80 | TYMS (0.47) | TYMSDHFR | |
| SCHEMBL3391755 | 0.78 | DYRK1A (0.42) | TYMSPNPDYRK1AALDH1A1 | |
| SCHEMBL7851320 | 0.75 | TYMS (0.45) | TYMSDHFR | |
| SCHEMBL7852566 | 0.74 | TYMS (0.55) | TYMSDHFR | |
| SCHEMBL7841711 | 0.74 | TYMS (0.47) | TYMSDHFR | |
| SCHEMBL7850725 | 0.74 | TYMS (0.55) | TYMSDHFR | |
| SCHEMBL7855868 | 0.73 | TYMS (0.54) | TYMSDHFR | |
| SCHEMBL7842508 | 0.73 | TYMS (0.56) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923287-A4 | NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES | LILLY CO ELI (US) | 2001-08-01 | — | — | EP | disclosed |
| EP-0923287-A1 | NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998008382-A1 | NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |