Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.53 |
| ▸ | TYMS | P04818 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.45 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.45 |
| ▸ | GART | P22102 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 1/20 | 0.45 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.45 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.45 |
| ▸ | FRK | P42685 | 1/20 | 0.45 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564235 | 1.00 | DHFR (0.53) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9042447 | 0.92 | DHFR (0.64) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9042429 | 0.92 | DHFR (0.64) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9039220 | 0.91 | DHFR (0.57) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9039215 | 0.91 | DHFR (0.57) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9564219 | 0.88 | L3MBTL1 (0.45) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9564217 | 0.88 | L3MBTL1 (0.45) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9564140 | 0.85 | L3MBTL1 (0.46) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9564141 | 0.85 | L3MBTL1 (0.46) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9564229 | 0.85 | FOLR1 (0.46) | DHFRTYMSKDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0549291-A1 | Thymidylate synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |