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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.56 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | CTSG | P08311 | 2/20 | 0.52 |
| ▸ | CMA1 | P23946 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 9/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4307028 | 0.89 | SLC12A2 (0.67) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL7027475 | 0.88 | SLC12A2 (0.66) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL7027470 | 0.88 | SLC12A2 (0.66) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL4447511 | 0.86 | SLC12A2 (0.66) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL4451025 | 0.85 | L3MBTL1 (0.71) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL7035111 | 0.84 | PTGDR2 (0.69) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL4452536 | 0.77 | CMA1 (0.56) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL7028807 | 0.77 | SLC12A2 (0.51) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL4451685 | 0.76 | SLC12A2 (0.50) | KMT2ASLC12A2SLC12A5HPGDCTSG | |
| SCHEMBL4452004 | 0.76 | CMA1 (0.51) | KMT2ASLC12A2SLC12A5HPGDCTSG |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054319-A1 | Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders | MICROBIA, INC. (US) | 2009-02-26 | — | — | US | disclosed |
| WO-2006102069-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS | MICROBIA, INC. (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20030083315-A1 | Human chymase inhibitors | TEIJIN LIMITED (JP) | 2003-05-01 | — | — | US | disclosed |
| EP-1167360-A9 | HUMAN CHYMASE INHIBITORS | TEIJIN LIMITED (JP) | 2002-05-15 | — | — | EP | disclosed |
| EP-1167360-A1 | HUMAN CHYMASE INHIBITORS | TEIJIN LIMITED (JP) | 2002-01-02 | — | — | EP | 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 (2 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-20030083315-A1 | Human chymase inhibitors | CMA1, CTRL, CPA4 | KMT2A 2450/4885SLC12A2 604/4885SLC12A5 445/4885 |
| US-20090054319-A1 | Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders | PTGIS, PTGIR, GRPR | KMT2A 4822/4885SLC12A2 3488/4885SLC12A5 3552/4885 |
“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.