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 | 1/20 | 0.31 |
| ▸ | ATP4B known ✓ | P51164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.31 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.31 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.31 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391377 | 0.95 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL4781367 | 0.94 | PSEN1 (0.37) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL13337314 | 0.89 | PSEN1 (0.37) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL3388385 | 0.88 | PSEN1 (0.31) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL4929479 | 0.84 | TSHR (0.33) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL3391394 | 0.83 | PSEN1 (0.32) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL5763411 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL4929481 | 0.80 | HCRTR1 (0.34) | ALDH1A1TSHRTP53MAPK1HTT | |
| SCHEMBL5764375 | 0.80 | ATP4A (0.42) | ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL13337312 | 0.79 | ATP1A1 (0.30) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A |
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 |
|---|---|---|---|---|---|---|---|
| US-20100113524-A1 | Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety | ALEVIUM PHARMACEUTICALS, INC. | 2010-05-06 | — | — | US | disclosed |
| WO-2008036211-A1 | PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE (1H-PYRROL-1-YL)-1H-BENZIMIDAZOLE MOIETY | ALEVIUM PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | 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-20100113524-A1 | Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety | ABCB11, ATP6AP1, PAH | ATP4A 21/4885ATP4B 61/4885ALDH1A1 290/4885 |
“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.