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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GART known ✓ | P22102 | 10/20 | 0.77 |
| ▸ | DHFR known ✓ | P00374 | 6/20 | 0.77 |
| ▸ | TYMS known ✓ | P04818 | 5/20 | 0.77 |
| ▸ | FOLR1 | P15328 | 4/20 | 0.77 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.77 |
| ▸ | ATIC | P31939 | 3/20 | 0.77 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.77 |
| ▸ | SLC19A1 | P41440 | 3/20 | 0.77 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.77 |
| ▸ | FRK | P42685 | 1/20 | 0.77 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.54 |
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 SCHEMBL7968 | 1.00 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL7969 | 1.00 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2549428 | 1.00 | GART (0.77) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL108860 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL124673 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL3388816 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL1934793 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL126068 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL124663 | 0.99 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL15648731 | 0.99 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110475571-A | The substitution of cytotoxicity preconditioned before cellular immunotherapy | AVM BIOTECHNOLOGY LLC | 2019-11-19 | — | — | CN | disclosed |
| EP-3429571-A1 | COMBINATIONS OF LSD1 INHIBITORS FOR USE IN THE TREATMENT OF SOLID TUMORS | Oryzon Genomics, S.A. (ES) | 2019-01-23 | — | — | EP | disclosed |
| WO-2017157825-A1 | COMBINATIONS OF LSD1 INHIBITORS FOR USE IN THE TREATMENT OF SOLID TUMORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-09-21 | — | — | WO | disclosed |
| EP-1711188-A2 | ANTI-CANCER THERAPIES | Threshold Pharmaceuticals, Inc. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005076888-A2 | ANTI-CANCER THERAPIES | THRESHOLD PHARMACEUTICALS, INC. (US) | 2005-08-25 | — | — | WO | disclosed |