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 | |
|---|---|---|---|---|
| ▸ | EDNRA known ✓ | P25101 | 10/20 | 0.42 |
| ▸ | EDNRB known ✓ | P24530 | 9/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6026444 | 0.82 | BRD4 (0.43) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL6524073 | 0.82 | RAB9A (0.48) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL1919495 | 0.76 | HPGDS (0.52) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL7408116 | 0.76 | BRD4 (0.41) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL5408419 | 0.75 | ALDH1A1 (0.48) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL7402494 | 0.72 | EDNRB (0.41) | BRD4EDNRAEDNRB | |
| SCHEMBL3042288 | 0.72 | BRD4 (0.49) | BRD4EDNRAEDNRBHPGDSLTA4H | |
| SCHEMBL10629026 | 0.71 | EDNRA (0.48) | BRD4EDNRAEDNRBDUSP3PTPN5 | |
| SCHEMBL7868303 | 0.71 | EDNRB (0.56) | EDNRAEDNRBHPGDSLTA4HFAAH | |
| SCHEMBL6986037 | 0.71 | EDNRB (0.56) | EDNRAEDNRBHPGDSLTA4HFAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4602940-A | HERBICIDES, PLANT GROWTH REGULATOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-07-29 | — | — | US | disclosed |
| US-4465505-A | Herbicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-08-14 | — | — | US | disclosed |