Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pemetrexed. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GART known ✓ | P22102 | 9/20 | 0.61 |
| ▸ | DHFR known ✓ | P00374 | 7/20 | 0.61 |
| ▸ | TYMS known ✓ | P04818 | 6/20 | 0.61 |
| ▸ | FOLR1 | P15328 | 4/20 | 0.61 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.61 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.61 |
| ▸ | SLC19A1 | P41440 | 3/20 | 0.61 |
| ▸ | ATIC | P31939 | 2/20 | 0.61 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.61 |
| ▸ | FRK | P42685 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Pemetrexed SCHEMBL208289 | 0.99 | GART (0.62) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2190320 | 0.99 | GART (0.61) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL28130171 | 0.89 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL3388816 | 0.89 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL572065 | 0.88 | GART (0.73) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2549428 | 0.88 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL6034765 | 0.88 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL7969 | 0.88 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL7968 | 0.88 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL1934793 | 0.87 | GART (0.76) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1943252-A2 | PROCESSES FOR THE PREPARATION OF LYOPHILIZED PHARMACEUTICALLY ACCEPTABLE SALTS OF PEMETREXED DIACID | Sicor, Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2008021411-A2 | PROCESSES FOR THE PREPARATION OF LYOPHILIZED PHARMACEUTICALLY ACCEPTABLE SALTS OF PEMETREXED DIACID | SICOR INC. (US) | 2008-02-21 | — | — | WO | disclosed |