Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.60 |
| ▸ | TYMS | P04818 | 6/20 | 0.60 |
| ▸ | FOLR1 | P15328 | 7/20 | 0.53 |
| ▸ | SLC46A1 | Q96NT5 | 7/20 | 0.53 |
| ▸ | GART | P22102 | 6/20 | 0.53 |
| ▸ | SLC19A1 | P41440 | 6/20 | 0.53 |
| ▸ | ATIC | P31939 | 4/20 | 0.53 |
| ▸ | SHMT1 | P34896 | 4/20 | 0.53 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.53 |
| ▸ | FRK | P42685 | 1/20 | 0.53 |
| ▸ | SHMT2 | P34897 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9225994 | 1.00 | DHFR (0.60) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9228547 | 0.91 | DHFR (0.60) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9227465 | 0.91 | DHFR (0.60) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9225949 | 0.91 | TYMS (0.54) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9220537 | 0.91 | TYMS (0.54) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9564172 | 0.90 | TYMS (0.55) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9226019 | 0.88 | DHFR (0.52) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9223740 | 0.88 | DHFR (0.57) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9227108 | 0.88 | DHFR (0.78) | DHFRTYMSFOLR1SLC46A1GART | |
| SCHEMBL9227343 | 0.88 | DHFR (0.78) | DHFRTYMSFOLR1SLC46A1GART |
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 |
|---|---|---|---|---|---|---|---|
| US-5459129-A | Antitumor agents; enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-17 | — | — | US | disclosed |
| US-5268362-A | Containing benzene and purine rings | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-07 | — | — | US | disclosed |
| EP-0492316-A1 | Condensed heterocyclic oligoglutamate derivatives, their production and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1992-07-01 | — | — | EP | disclosed |