Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 18/20 | 0.44 |
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.39 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.39 |
| ▸ | GART | P22102 | 1/20 | 0.39 |
| ▸ | ATIC | P31939 | 1/20 | 0.39 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.39 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.39 |
| ▸ | FRK | P42685 | 1/20 | 0.39 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7853357 | 0.79 | TYMS (0.51) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7850289 | 0.78 | TYMS (0.49) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7842508 | 0.76 | TYMS (0.56) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7855868 | 0.76 | TYMS (0.54) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7851441 | 0.75 | MMP12 (0.37) | HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL7853697 | 0.75 | TYMS (0.69) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7849938 | 0.74 | TYMS (0.57) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7850960 | 0.73 | TYMS (0.62) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7842454 | 0.71 | TYMS (0.44) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL7851227 | 0.70 | TYMS (0.38) | TYMS |
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 |