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 | 9/20 | 0.89 |
| ▸ | GART known ✓ | P22102 | 7/20 | 0.74 |
| ▸ | DHFR known ✓ | P00374 | 4/20 | 0.74 |
| ▸ | FOLR1 | P15328 | 7/20 | 0.74 |
| ▸ | SLC46A1 | Q96NT5 | 7/20 | 0.74 |
| ▸ | SLC19A1 | P41440 | 6/20 | 0.74 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.74 |
| ▸ | ATIC | P31939 | 2/20 | 0.74 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.74 |
| ▸ | FRK | P42685 | 1/20 | 0.74 |
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 SCHEMBL6076020 | 0.94 | TYMS (1.00) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL1933385 | 0.94 | TYMS (1.00) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL6075234 | 0.93 | TYMS (0.98) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL6075227 | 0.93 | TYMS (0.98) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| SCHEMBL7144593 | 0.91 | GART (0.88) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| SCHEMBL18689788 | 0.86 | GART (0.88) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL209720 | 0.85 | GART (1.00) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL5959741 | 0.85 | GART (1.00) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| Pemetrexed SCHEMBL7144918 | 0.85 | GART (1.00) | TYMSFOLR1SLC46A1GARTSLC19A1 | |
| SCHEMBL13915417 | 0.84 | TYMS (0.76) | TYMSFOLR1SLC46A1GARTSLC19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1259513-B1 | A NOVEL CRYSTALLINE FORM OF N- 4- 2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO 2,3-d]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-L-GLUTAMIC ACID AND PROCESS THEREFOR | LILLY CO ELI (US) | 2003-09-10 | — | — | EP | claimed |