Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.39 |
| ▸ | RARG | P13631 | 3/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 7/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7851328 | 0.78 | DAO (0.33) | TYMSGAA | |
| SCHEMBL7851872 | 0.74 | TYMS (0.43) | TYMSHSP90AA1ESR2TDP1GAA | |
| SCHEMBL26232174 | 0.72 | CHUK (0.49) | HSP90AA1GAA | |
| SCHEMBL69572 | 0.66 | RARB (0.69) | RARBRARGSLC16A3PTPN11ACACB | |
| SCHEMBL29789030 | 0.66 | RARB (0.69) | RARBRARGSLC16A3PTPN11ACACB | |
| SCHEMBL22824265 | 0.65 | RARB (0.56) | RARBRARGSLC16A3PTPN11ACACB | |
| SCHEMBL15521775 | 0.64 | RARB (0.58) | RARBRARGSLC16A3PTPN11ACACB | |
| SCHEMBL20022591 | 0.64 | ALDH1A1 (0.74) | RARBRARGPTPN11ACACBCYP26A1 | |
| Hydrochloric Acid SCHEMBL5666955 | 0.64 | RARB (0.67) | RARBRARGSLC16A3PTPN11ACACB | |
| SCHEMBL26232177 | 0.63 | TYMS (0.41) | 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 |