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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.59 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.59 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.72 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.72 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 1/20 | 0.68 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.68 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.66 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | PTPRC | P08575 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.57 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL5969733 | 0.97 | NR4A1 (0.72) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL6830467 | 0.84 | NR4A2 (1.00) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL4059143 | 0.84 | NR4A2 (1.00) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL228477 | 0.84 | NR4A2 (1.00) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL3232949 | 0.84 | SRD5A2 (0.90) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL11603952 | 0.82 | NR4A2 (0.96) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| Hydrochloric Acid SCHEMBL8544438 | 0.82 | NR4A2 (0.96) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL11603274 | 0.82 | NR4A2 (0.96) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL402300 | 0.82 | SRD5A2 (0.87) | NR4A1NR4A2NR4A3MAOBPARP10 | |
| SCHEMBL11273693 | 0.82 | NR4A2 (0.96) | NR4A1NR4A2NR4A3MAOBPARP10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0019081-B1 | FLAVONE DERIVATIVES, THEIR PREPARATION, THESE NOVEL AND KNOWN FLAVONES AS ANTIVIRAL AGENTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | disclosed |
| US-4352792-A | 3-Alkoxyflavone antiviral agents | HOFFMANN-LA ROCHE INC. (US) | 1982-10-05 | — | — | US | disclosed |