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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.47 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.47 |
| ▸ | ACE known ✓ | P12821 | 8/20 | 0.40 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | REN | P00797 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PEPD | P12955 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11339998 | 0.86 | ACE (0.55) | ACERENKDM4EF2LMNA | |
| SCHEMBL11233567 | 0.80 | ACE (0.45) | CA12CA1CA2CA9ACE | |
| SCHEMBL11562812 | 0.74 | CA12 (0.49) | CA12CA1CA2CA9ACE | |
| Lithium Ion SCHEMBL29774303 | 0.73 | CA12 (0.50) | CA12CA1CA2CA9ACE | |
| Potassium Ion SCHEMBL11057114 | 0.73 | DPP4 (0.55) | CA12CA1CA2CA9ACE | |
| Potassium Ion SCHEMBL10402342 | 0.73 | CA12 (0.41) | CA12CA1CA2CA9ACE | |
| SCHEMBL27905005 | 0.72 | ACE (0.52) | CA12CA1CA2CA9ACE | |
| SCHEMBL21022228 | 0.72 | CA12 (0.49) | CA12CA1CA2CA9ACE | |
| SCHEMBL19824754 | 0.72 | CA12 (0.49) | CA12CA1CA2CA9ACE | |
| SCHEMBL19824776 | 0.72 | CA12 (0.49) | CA12CA1CA2CA9ACE |
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 |