Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.54 |
| ▸ | TYMS | P04818 | 4/20 | 0.50 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.42 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.42 |
| ▸ | GART | P22102 | 1/20 | 0.42 |
| ▸ | ATIC | P31939 | 1/20 | 0.42 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.42 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.42 |
| ▸ | FRK | P42685 | 1/20 | 0.42 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042181 | 1.00 | DHFR (0.54) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9087514 | 0.88 | DHFR (0.65) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9087507 | 0.88 | DHFR (0.65) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9086338 | 0.86 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997192 | 0.86 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9086345 | 0.86 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997189 | 0.86 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9039021 | 0.85 | DHFR (0.51) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997168 | 0.85 | DHFR (0.51) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9040527 | 0.85 | DHFR (0.51) | DHFRTYMSFOLR2FOLR1GART |
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-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |