Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 11/20 | 0.57 |
| ▸ | TYMS | P04818 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.53 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | GART | P22102 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068436 | 0.86 | DHFR (0.53) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9067839 | 0.83 | DHFR (0.57) | DHFRTYMSKDM4ETLR4MEN1 | |
| SCHEMBL9765067 | 0.77 | DHFR (0.71) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL10692018 | 0.77 | DHFR (0.62) | DHFRTYMSKDM4ETLR4MEN1 | |
| SCHEMBL10378079 | 0.73 | DHFR (0.59) | DHFRTYMS | |
| SCHEMBL10378082 | 0.73 | DHFR (0.59) | DHFRTYMS | |
| SCHEMBL8326393 | 0.73 | TYMS (0.51) | DHFRTYMSGART | |
| SCHEMBL9067311 | 0.72 | DHFR (0.54) | DHFR | |
| Adenopterin SCHEMBL19209757 | 0.72 | DHFR (0.73) | DHFRTYMSKDM4ETLR4MEN1 | |
| Adenopterin SCHEMBL19209756 | 0.72 | DHFR (0.73) | DHFRTYMSKDM4ETLR4MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536724-A | Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins | SRI INTERNATIONAL (US) | 1996-07-16 | — | — | US | disclosed |