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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 6/20 | 0.45 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 1/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11219110 | 0.90 | ACE (0.55) | ACELMNASMN1; SMN2LTA4H | |
| SCHEMBL11223671 | 0.80 | CA12 (0.47) | ACELMNAPREPFAPCA12 | |
| Enalaprilat Anhydrous SCHEMBL8836369 | 0.73 | ACE (0.73) | ACELMNASMN1; SMN2 | |
| SCHEMBL11196039 | 0.73 | ACE (0.53) | ACELMNASMN1; SMN2LTA4H | |
| SCHEMBL11219297 | 0.73 | ACE (0.61) | ACELMNASMN1; SMN2LTA4H | |
| Ammonia Solution, Strong SCHEMBL11217167 | 0.72 | ACE (0.60) | ACELMNASMN1; SMN2LTA4H | |
| Enalapril SCHEMBL1707619 | 0.70 | ACE (0.84) | ACELMNASMN1; SMN2 | |
| SCHEMBL11298944 | 0.70 | ACE (0.58) | ACELMNAPREPSMN1; SMN2LTA4H | |
| SCHEMBL11339998 | 0.70 | ACE (0.55) | ACELMNALTA4H | |
| Enalapril SCHEMBL8836013 | 0.70 | ACE (0.82) | ACELMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4316896-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1982-02-23 | — | — | US | disclosed |
| EP-0009183-B1 | PHOSPHORYL AMINOACID DERIVATIVES AND COMPOSITION FOR TREATING HYPERTENSION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1981-10-21 | — | — | EP | disclosed |
| EP-0009183-A1 | Phosphoryl aminoacid derivatives and composition for treating hypertension containing the same | MERCK & CO. INC. (US) | 1980-04-02 | — | — | EP | disclosed |