Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.62 |
| ▸ | TYMS | P04818 | 6/20 | 0.62 |
| ▸ | FPGS | Q05932 | 3/20 | 0.59 |
| ▸ | FOLR2 | P14207 | 2/20 | 0.59 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.59 |
| ▸ | GART | P22102 | 2/20 | 0.59 |
| ▸ | ATIC | P31939 | 2/20 | 0.59 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.59 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | TLR4 | O00206 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9228615 | 0.89 | DHFR (0.62) | DHFRTYMSFPGSFOLR2FOLR1 | |
| SCHEMBL9564226 | 0.85 | DHFR (0.73) | DHFRTYMSFOLR2FOLR1GART | |
| Pemetrexed SCHEMBL12022769 | 0.84 | DHFR (0.83) | DHFRTYMSFOLR2FOLR1GART | |
| Pemetrexed SCHEMBL7848273 | 0.84 | DHFR (0.83) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9042675 | 0.84 | DHFR (0.66) | DHFRTYMSFPGSFOLR2FOLR1 | |
| SCHEMBL10447943 | 0.83 | DHFR (0.61) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL10447768 | 0.83 | DHFR (0.65) | DHFRTYMSFPGSFOLR2FOLR1 | |
| SCHEMBL8997255 | 0.82 | DHFR (0.75) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997171 | 0.82 | DHFR (0.75) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9228627 | 0.82 | DHFR (0.54) | DHFRTYMSFPGSFOLR2FOLR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | claimed |
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | disclosed |