Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.43 |
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.43 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.43 |
| ▸ | GART | P22102 | 1/20 | 0.43 |
| ▸ | ATIC | P31939 | 1/20 | 0.43 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.43 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.43 |
| ▸ | FRK | P42685 | 1/20 | 0.43 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1238667 | 0.89 | TYMS (0.46) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL27835031 | 0.81 | DHFR (0.57) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL371409 | 0.81 | DHFR (0.57) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL13003773 | 0.81 | GART (0.51) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL12370806 | 0.81 | DHFR (0.50) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL28417050 | 0.78 | TYMS (0.45) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL2756063 | 0.78 | DHFR (0.48) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL25899206 | 0.78 | PNP (0.51) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL17776089 | 0.77 | GART (0.66) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL19623252 | 0.77 | GART (0.65) | TYMSDHFRFOLR2FOLR1GART |
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-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 |