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 | |
|---|---|---|---|---|
| ▸ | EDNRA known ✓ | P25101 | 7/20 | 0.60 |
| ▸ | EDNRB known ✓ | P24530 | 4/20 | 0.60 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7339368 | 0.91 | EDNRA (0.61) | EDNRAEDNRBALDH1A1MAPTTSHR | |
| SCHEMBL8903642 | 0.90 | EDNRA (0.60) | EDNRAEDNRBALDH1A1MAPTTSHR | |
| SCHEMBL8789773 | 0.90 | EDNRA (0.58) | EDNRAEDNRBALDH1A1MAPTTSHR | |
| SCHEMBL7329622 | 0.89 | EDNRA (0.57) | EDNRAEDNRBALDH1A1MAPTTSHR | |
| SCHEMBL7333529 | 0.84 | EDNRA (0.76) | EDNRAEDNRBSMN1; SMN2AGTR1 | |
| SCHEMBL7329183 | 0.84 | EDNRA (0.86) | EDNRAEDNRBAGTR1 | |
| SCHEMBL7339477 | 0.83 | EDNRA (0.59) | EDNRAEDNRBALDH1A1MAPTTSHR | |
| SCHEMBL7338911 | 0.83 | EDNRA (0.77) | EDNRAEDNRBAGTR1 | |
| SCHEMBL7331709 | 0.83 | EDNRA (0.75) | EDNRAEDNRBALDH1A1MAPTKMT2A | |
| SCHEMBL23514982 | 0.82 | EDNRA (0.63) | EDNRAEDNRBSMN1; SMN2AGTR1ADRB2 |
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-5668176-A | ENDOTHELIN ANTAGONIST | MERCK & CO. INC. (US) | 1997-09-16 | — | — | US | disclosed |
| US-5565485-A | TREATING CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5559135-A | TREATMENT OF CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS OR ANTIASTHMATICS | MERCK & CO., INC. (US) | 1996-09-24 | — | — | US | disclosed |
| US-5538991-A | TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISORDERS, PROSTATE HYPERPLASIA OR ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1996-07-23 | — | — | US | disclosed |
| WO-1996008487-A1 | ENDOTHELIN ANTAGONISTS BEARING PYRIDYL AMIDES | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |