Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 13/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.43 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.43 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.43 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.43 |
| ▸ | GART | P22102 | 2/20 | 0.43 |
| ▸ | ATIC | P31939 | 2/20 | 0.43 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.43 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.43 |
| ▸ | FRK | P42685 | 1/20 | 0.43 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
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 | 0.93 | TYMS (0.49) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL7846955 | 0.82 | TYMS (0.66) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL1238667 | 0.80 | TYMS (0.46) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL28422384 | 0.78 | TYMS (0.43) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL27994513 | 0.77 | TBXAS1 (0.37) | TYMSMBOAT4PTGER1PTGER4PTGER3 | |
| SCHEMBL31097115 | 0.77 | TYMS (0.46) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL10324414 | 0.76 | GART (0.65) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL18780148 | 0.75 | TYMS (0.39) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17200119 | 0.75 | TYMS (0.39) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| Pemetrexed SCHEMBL7969 | 0.75 | GART (0.77) | TYMSDHFRFOLR1SLC19A1SLC46A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111333658-A | Preparation method of pemetrexed disodium hydrate | 贵州联科中贝制药科技有限公司 | 2020-06-26 | — | — | CN | claimed |
| CN-111333658-A | Preparation method of pemetrexed disodium hydrate | 贵州联科中贝制药科技有限公司 | 2020-06-26 | — | — | CN | disclosed |