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 | 0.76 |
| ▸ | DHFR known ✓ | P00374 | 6/20 | 0.76 |
| ▸ | TYMS known ✓ | P04818 | 5/20 | 0.76 |
| ▸ | FOLR1 | P15328 | 4/20 | 0.76 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.76 |
| ▸ | ATIC | P31939 | 3/20 | 0.76 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.76 |
| ▸ | SLC19A1 | P41440 | 3/20 | 0.76 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.76 |
| ▸ | FRK | P42685 | 1/20 | 0.76 |
| ▸ | SHMT2 | P34897 | 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 | |
|---|---|---|---|---|
| Pemetrexed SCHEMBL28545416 | 1.00 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL28552890 | 1.00 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL16767008 | 1.00 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL19411246 | 1.00 | GART (0.76) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL15649748 | 0.99 | GART (0.75) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL17394823 | 0.99 | GART (0.75) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL577951 | 0.99 | GART (0.75) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL21600667 | 0.99 | GART (0.75) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL19410627 | 0.99 | GART (0.75) | GARTDHFRTYMSFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL15569564 | 0.99 | GART (0.75) | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017168442-A1 | NOVEL STABLE SALTS OF PEMETREXED | SHAH DHARMESH MAHENDRABHAI (IN) | 2017-10-05 | — | — | WO | claimed |
| CN-117159470-A | Liposome encapsulated affinity drug | L.E.A.F.控股集团公司 | 2023-12-05 | — | — | CN | disclosed |
| EP-3188724-B1 | LIPOSOME ENCAPSULATED AFFINITY DRUG | L E A F HOLDINGS GROUP LLC (US) | 2021-11-10 | — | — | EP | disclosed |
| US-10928405-B2 | Devices and methods for determining and/or isolating cells such as circulating cancer or fetal cells | ANALIZA, INC. (US) | 2021-02-23 | — | — | US | disclosed |
| EP-3702783-A1 | METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | Analiza, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| EP-3080341-B1 | METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | ANALIZA INC (US) | 2020-02-12 | — | — | EP | disclosed |
| US-20190178901-A1 | DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | ANALIZA, INC. (US) | 2019-06-13 | — | — | US | disclosed |
| WO-2017168442-A1 | NOVEL STABLE SALTS OF PEMETREXED | SHAH DHARMESH MAHENDRABHAI (IN) | 2017-10-05 | — | — | WO | disclosed |
| EP-3188724-A2 | LIPOSOME ENCAPSULATED AFFINITY DRUG | L.E.A.F Holdings Group LLC (US) | 2017-07-12 | — | — | EP | disclosed |
| CN-106794164-A | Liposomal entrapped affinity drugs | L.E.A.F.控股集团公司 | 2017-05-31 | — | — | CN | disclosed |
| US-20160228573-A1 | LIPOSOME ENCAPSULATED AFFINITY DRUG | L.E.A.F. HOLDINGS GROUP LLC | 2016-08-11 | — | — | US | disclosed |
| WO-2016025882-A2 | LIPOSOME ENCAPSULATED AFFINITY DRUG | L.E.A.F HOLDINGS GROUP LLC. (US) | 2016-02-18 | — | — | WO | disclosed |
| US-20150160246-A1 | DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | ANALIZA, INC. (US) | 2015-06-11 | — | — | US | disclosed |