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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.62 |
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.62 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 3/20 | 0.61 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.61 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.61 |
| ▸ | NT5E | P21589 | 1/20 | 0.63 |
| ▸ | AHCY | P23526 | 8/20 | 0.62 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.59 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.59 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.58 |
| ▸ | PNMT | P11086 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29385449 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL4520798 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL4520806 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL30139992 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL2117335 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL1757011 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL30139993 | 0.89 | AHCY (0.68) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL23478169 | 0.88 | NT5E (0.49) | NT5EAHCYHSP90B1ADORA2AADORA2B | |
| SCHEMBL6902911 | 0.88 | AHCY (0.67) | AHCYHSP90B1ADORA2AADORA2BHIF1A | |
| SCHEMBL6902895 | 0.88 | AHCY (0.67) | AHCYHSP90B1ADORA2AADORA2BHIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1482977-A1 | COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS | PFIZER INC. (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20040043959-A1 | Combination therapies for treating methylthioadenosine phosphorylase deficient cells | AGOURON PHARMACEUTICALS INC. | 2004-03-04 | — | — | US | disclosed |
| WO-2003074083-A1 | COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS | PFIZER INC. (US) | 2003-09-12 | — | — | 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 (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-20040043959-A1 | Combination therapies for treating methylthioadenosine phosphorylase deficient cells | APRT, MTAP, TYMP | ADORA2A 509/4885ADORA2B 1279/4885ADORA3 743/4885 |
“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.