Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 12/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.37 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.37 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.37 |
| ▸ | GART | P22102 | 1/20 | 0.37 |
| ▸ | ATIC | P31939 | 1/20 | 0.37 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.37 |
| ▸ | FRK | P42685 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL207072 | 0.81 | TYMS (0.49) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL30130170 | 0.81 | TYMS (0.66) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL28417050 | 0.77 | TYMS (0.45) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20202023 | 0.73 | BACE1 (0.36) | TYMSPNP | |
| SCHEMBL20206657 | 0.73 | PNP (0.35) | PNP | |
| SCHEMBL18780148 | 0.72 | TYMS (0.39) | TYMSPNPFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17200119 | 0.72 | TYMS (0.39) | TYMSPNPFOLR1SLC19A1SLC46A1 | |
| SCHEMBL28422384 | 0.71 | TYMS (0.43) | TYMSNPC1RAB9AALDH1A1FOLR1 | |
| SCHEMBL16797198 | 0.70 | GART (0.59) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20202010 | 0.70 | PNP (0.36) | PNP |
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 |
|---|---|---|---|---|---|---|---|
| CN-118619955-A | Preparation method and application of pemetrexed key intermediate | 江苏海洋大学 | 2024-09-10 | — | — | CN | disclosed |