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 | |
|---|---|---|---|---|
| ▸ | TYMS known ✓ | P04818 | 5/20 | 0.70 |
| ▸ | GART known ✓ | P22102 | 10/20 | 0.68 |
| ▸ | DHFR known ✓ | P00374 | 6/20 | 0.68 |
| ▸ | FOLR1 | P15328 | 4/20 | 0.68 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.68 |
| ▸ | ATIC | P31939 | 3/20 | 0.68 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.68 |
| ▸ | SLC19A1 | P41440 | 3/20 | 0.68 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.68 |
| ▸ | FRK | P42685 | 1/20 | 0.68 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.48 |
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 SCHEMBL4987130 | 0.95 | TYMS (0.69) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL18348 | 0.94 | TYMS (0.78) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL5333210 | 0.94 | TYMS (0.78) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL1651788 | 0.94 | TYMS (0.78) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL135815 | 0.94 | TYMS (0.77) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL1934530 | 0.94 | TYMS (0.77) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2037608 | 0.94 | TYMS (0.77) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL21599244 | 0.94 | TYMS (0.77) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL15649196 | 0.93 | TYMS (0.75) | TYMSGARTDHFRFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL2549428 | 0.93 | GART (0.77) | TYMSGARTDHFRFOLR1SLC46A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3621633-A2 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | Aileron Therapeutics, Inc. (US) | 2020-03-18 | — | — | EP | disclosed |
| WO-2018208954-A2 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | AILERON THERAPEUTICS, INC. (US) | 2018-11-15 | — | — | WO | disclosed |
| EP-3344275-A1 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | Aileron Therapeutics, Inc. (US) | 2018-07-11 | — | — | EP | disclosed |
| US-9968608-B2 | Pharmaceutical compositions comprising pemetrexed and tromethamine | FRESENIUS KABI ONCOLOGY LIMITED (IN) | 2018-05-15 | — | — | US | disclosed |
| EP-3210629-A1 | PHARMACEUTICAL COMPOSITION OF PEMETREXED | Fresenius Kabi Oncology Ltd (IN) | 2017-08-30 | — | — | EP | disclosed |
| EP-2854768-B1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | FRESENIUS KABI ONCOLOGY LTD (IN) | 2017-03-22 | — | — | EP | disclosed |
| WO-2017040990-A1 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | AILERON THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| US-20160310495-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | FRESENIUS KABI ONCOLOGY LIMITED (IN) | 2016-10-27 | — | — | US | disclosed |
| US-20150111905-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | FRESENIUS KABI ONCOLOGY LIMITED (IN) | 2015-04-23 | — | — | US | disclosed |
| EP-2854768-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | Fresenius Kabi Oncology Limited (IN) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013179248-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | FRESENIUS KABI ONCOLOGY LTD. (IN) | 2013-12-05 | — | — | WO | disclosed |
| US-20110201631-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-08-18 | — | — | US | disclosed |
| WO-2010030598-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED | DR. REDDY'S LABORATORIES LIMITED (IN) | 2010-03-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110201631-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED | TYMP, TYMS, MTHFD1 | TYMS 2/4885GART 15/4885DHFR 7/4885 |
| US-20160310495-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | TYMP, TYMS, HPRT1 | TYMS 2/4885GART 11/4885DHFR 9/4885 |
| US-20150111905-A1 | PHARMACEUTICAL COMPOSITIONS OF PEMETREXED | TYMP, TYMS, HPRT1 | TYMS 2/4885GART 11/4885DHFR 9/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.