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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 13/20 | 0.44 |
| ▸ | TLR4 known ✓ | O00206 | 1/20 | 0.41 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.41 |
| ▸ | GART known ✓ | P22102 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.41 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15053633 | 0.90 | DHFR (0.46) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17554416 | 0.79 | DHFR (0.44) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| Potassium Ion SCHEMBL17554403 | 0.77 | DHFR (0.44) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17562254 | 0.74 | DHFR (0.46) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17554417 | 0.73 | DHFR (0.46) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17554357 | 0.73 | DHFR (0.46) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17554406 | 0.73 | DHFR (0.46) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL17554414 | 0.72 | DHFR (0.43) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL24344752 | 0.72 | DHFR (0.65) | DHFR | |
| SCHEMBL11629266 | 0.72 | DHFR (0.65) | DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794610-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE | Plus Chemicals SA (CH) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013096800-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE | PLUS CHEMICALS S.A. (CH) | 2013-06-27 | — | — | WO | disclosed |