Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GART | P22102 | 8/20 | 0.53 |
| ▸ | DHFR | P00374 | 6/20 | 0.53 |
| ▸ | TYMS | P04818 | 5/20 | 0.53 |
| ▸ | FOLR1 | P15328 | 4/20 | 0.53 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.53 |
| ▸ | SLC19A1 | P41440 | 3/20 | 0.53 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.53 |
| ▸ | ATIC | P31939 | 2/20 | 0.53 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.53 |
| ▸ | FRK | P42685 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1236538 | 0.86 | TYMS (0.56) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL19623246 | 0.86 | TYMS (0.56) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL27835031 | 0.85 | DHFR (0.57) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL371409 | 0.85 | DHFR (0.57) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL23544600 | 0.83 | GART (0.65) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL19623252 | 0.83 | GART (0.65) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL28544651 | 0.83 | TYMS (0.55) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL28544653 | 0.83 | TYMS (0.55) | GARTDHFRTYMSFOLR1SLC46A1 | |
| SCHEMBL16986777 | 0.82 | GART (0.68) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2549428 | 0.81 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 |
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-101691371-B | Pemetrexed thiocarbamide salt and preparation method thereof | SHENZHEN NEPTUNUS PHARMACEUTICAL CO LTD | 2012-01-25 | — | — | CN | disclosed |
| CN-101691371-A | Pemetrexed thiocarbamide salt and preparation method thereof | SHENZHEN NEPTUNUS PHARMACEUTIC | 2010-04-07 | — | — | CN | disclosed |