Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | TYMS known ✓ | P04818 | 18/20 | 0.68 |
| ▸ | DHFR known ✓ | P00374 | 2/20 | 0.62 |
| ▸ | GART known ✓ | P22102 | 1/20 | 0.62 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.62 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.62 |
| ▸ | ATIC | P31939 | 1/20 | 0.62 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.62 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.62 |
| ▸ | FRK | P42685 | 1/20 | 0.62 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL2260428 | 0.88 | TYMS (0.69) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL18551642 | 0.88 | TYMS (0.64) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL2260030 | 0.87 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL13659935 | 0.87 | TYMS (0.63) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL25476851 | 0.85 | TYMS (0.64) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL8855177 | 0.85 | TYMS (0.61) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL14612488 | 0.85 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL13524779 | 0.85 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL12238856 | 0.82 | TYMS (0.57) | TYMSDHFRFOLR2FOLR1GART | |
| Pemetrexed SCHEMBL6076020 | 0.82 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1GART |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957497-B1 | PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED | SICOR INC (US) | 2015-09-30 | — | — | EP | disclosed |
| US-8362245-B2 | Processes for preparing intermediates of pemetrexed | SICOR INC. (US) | 2013-01-29 | — | — | US | disclosed |
| US-20110263851-A1 | PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED | SICOR INC. (US) | 2011-10-27 | — | — | US | disclosed |
| US-7994180-B2 | prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates | SICOR INC. (US) | 2011-08-09 | — | — | US | disclosed |
| EP-1957497-A2 | PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED | Sicor, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| US-20080146799-A1 | prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates | ASSIA CHEMICAL INDUSTRIES LTD. (IL) | 2008-06-19 | — | — | US | disclosed |
| WO-2008021385-A2 | PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED | SICOR INC. (US) | 2008-02-21 | — | — | 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 (2 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-20110263851-A1 | PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED | DPYD, TYMP, TYMS | TYMS 3/4885DHFR 5/4885GART 193/4885 |
| US-20080146799-A1 | prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates | TYMP, TYMS, DHFR | TYMS 2/4885DHFR 3/4885GART 74/4885 |
“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.