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 | |
|---|---|---|---|---|
| ▸ | ATP4A known ✓ | P20648 | 2/20 | 0.32 |
| ▸ | ATP4B known ✓ | P51164 | 2/20 | 0.32 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.32 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.33 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.33 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.32 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.32 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.32 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.32 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.32 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.32 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.32 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.32 |
| ▸ | BRS3 | P32247 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368039 | 0.88 | CYP2C9 (0.33) | CYP2C9KMT2AALDH1A1GAA | |
| SCHEMBL5763035 | 0.86 | CYP2C9 (0.39) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5360436 | 0.85 | CYP2C9 (0.38) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5368635 | 0.85 | CYP2C9 (0.39) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| Lithium Ion SCHEMBL5367188 | 0.84 | CYP2C9 (0.38) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5370542 | 0.84 | CYP2C9 (0.39) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5366915 | 0.83 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL7225187 | 0.83 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5364396 | 0.83 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL5370615 | 0.83 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASEWDR5KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7294716-B2 | Process for preparing isomerically pure prodrugs of proton pump inhibitors | ALLERGAN, INC. (US) | 2007-11-13 | — | — | US | disclosed |
| EP-1556371-B1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR | WINSTON PHARMACEUTICALS LLC (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20050182101-A1 | Prodrugs of proton pump inhibitors | GARST MICHAEL (US) | 2005-08-18 | — | — | US | disclosed |
| US-20050143423-A1 | Prodrugs of proton pump inhibitors background of the invention | GARST MICHAEL (US) | 2005-06-30 | — | — | US | disclosed |
| US-6897227-B2 | Prodrugs of proton pump inhibitors | Winston Pharmaceuticals, Inc. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20050038076-A1 | Process for preparing isomerically pure prodrugs of proton pump inhibitors | ALEVIUM PHARMACEUTICALS, INC. | 2005-02-17 | — | — | US | disclosed |
| US-20040102484-A1 | Prodrugs of proton pump inhibitors | ALEVIUM PHARMACEUTICALS, INC. | 2004-05-27 | — | — | 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 (4 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-20040102484-A1 | Prodrugs of proton pump inhibitors | ABCB11, SLC10A2, SI | ATP4A 41/4885ATP4B 61/4885ADORA3 755/4885 |
| US-20050038076-A1 | Process for preparing isomerically pure prodrugs of proton pump inhibitors | SI, ATP6AP1, HRH2 | ATP4A 225/4885ATP4B 107/4885ADORA3 1873/4885 |
| US-20050143423-A1 | Prodrugs of proton pump inhibitors background of the invention | ABCB11, SLC10A2, SI | ATP4A 71/4885ATP4B 90/4885ADORA3 608/4885 |
| US-20050182101-A1 | Prodrugs of proton pump inhibitors | ABCB11, SLC10A2, SI | ATP4A 38/4885ATP4B 42/4885ADORA3 698/4885 |
“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.