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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.57 |
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.57 |
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.57 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.45 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.45 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.45 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.45 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.45 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.45 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.57 |
| ▸ | HTR2B | P41595 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7011275 | 0.92 | AGTR2 (0.67) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7012557 | 0.91 | AGTR2 (0.66) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7012549 | 0.91 | AGTR2 (0.66) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7015954 | 0.90 | AGTR2 (0.58) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| Azilsartan SCHEMBL7017839 | 0.86 | AGTR2 (0.57) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| Azilsartan SCHEMBL969380 | 0.85 | AGTR2 (0.70) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7015276 | 0.85 | AGTR2 (0.53) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7016452 | 0.85 | ABCB11 (0.59) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7018994 | 0.85 | ABCB11 (0.58) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 | |
| SCHEMBL7019249 | 0.85 | AGTR1 (0.60) | AGTR2CYP3A4ADORA3ADRA2BSLC6A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0520423-B1 | Heterocyclic compounds, their production and use as angiotensin II antagonists | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-14 | — | — | EP | disclosed |