Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 8/20 | 0.48 |
| ▸ | PARP1 | P09874 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DPYD | Q12882 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15061831 | 0.79 | TYMS (0.48) | TYMSCHEK1ALDH1A1 | |
| SCHEMBL26232177 | 0.77 | TYMS (0.41) | TYMSPARP1MAPK1TNKS2ALDH1A1 | |
| SCHEMBL26232174 | 0.75 | CHUK (0.49) | DPYD | |
| SCHEMBL13915418 | 0.71 | SMN1; SMN2 (0.47) | TYMSDPYDCHEK1ALDH1A1L3MBTL1 | |
| SCHEMBL20064089 | 0.71 | NOS1 (0.37) | TYMSCHEK1ALDH1A1 | |
| SCHEMBL7842455 | 0.71 | PARP1 (0.36) | TYMSPARP1MAPK1TNKS2ALDH1A1 | |
| SCHEMBL18283136 | 0.70 | TYMS (0.41) | TYMSPARP1MAPK1TNKS2ALDH1A1 | |
| SCHEMBL31017398 | 0.70 | PDE9A (0.39) | DPYD | |
| SCHEMBL15519347 | 0.68 | CYP1A2 (0.51) | PARP1MAPK1DPYDCHEK1ALDH1A1 | |
| SCHEMBL9696700 | 0.66 | ALDH1A1 (0.42) | ALDH1A1 |
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 |