Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.49 |
| ▸ | DHFR | P00374 | 6/20 | 0.48 |
| ▸ | GART | P22102 | 4/20 | 0.48 |
| ▸ | ATIC | P31939 | 2/20 | 0.48 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.48 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.48 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.48 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.48 |
| ▸ | FRK | P42685 | 1/20 | 0.48 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1237946 | 1.00 | TYMS (0.49) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL207059 | 0.92 | TYMS (0.50) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL19623246 | 0.91 | TYMS (0.56) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL1236538 | 0.91 | TYMS (0.56) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL23544600 | 0.85 | GART (0.65) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL19623252 | 0.85 | GART (0.65) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL371409 | 0.84 | DHFR (0.57) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL27835031 | 0.84 | DHFR (0.57) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL28515867 | 0.83 | TYMS (0.62) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL208257 | 0.83 | TYMS (0.62) | TYMSDHFRGARTATICFOLR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110196154-A1 | AMORPHOUS PEMETREXED DISODIUM | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-08-11 | — | — | US | 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 (1 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-20110196154-A1 | AMORPHOUS PEMETREXED DISODIUM | TYMP, TYMS, DCTD | TYMS 2/4885DHFR 21/4885GART 93/4885 |
“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.