Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentabromophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.31 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Perbromobenzene SCHEMBL27124 | 0.67 | ALDH1A1 (0.50) | CA1CA2CA4CA6ALDH1A1 | |
| Perbromobenzene SCHEMBL30780059 | 0.67 | CA1 (0.33) | CA1CA2CA4CA6ALDH1A1 | |
| Perbromobenzene SCHEMBL11574212 | 0.57 | ALDH1A1 (0.42) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL1821079 | 0.55 | CA1 (0.31) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL6890374 | 0.55 | CA1 (0.31) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL11881165 | 0.53 | TSHR (0.44) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL192021 | 0.53 | TSHR (0.44) | CA1CA2CA4CA6ALDH1A1 | |
| Perbromobenzene SCHEMBL10452958 | 0.53 | CA1 (0.39) | CA1CA2CA4CA6ALDH1A1 | |
| Water SCHEMBL1127581 | 0.50 | TSHR (0.41) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL10656649 | 0.50 | TSHR (0.41) | CA1CA2CA4CA6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108912065-B | Preparation method of tri (pentabromophenoxy) isocyanurate | 潍坊玉成化工有限公司 | 2022-03-11 | — | — | CN | claimed |
| CN-108912065-B | Preparation method of tri (pentabromophenoxy) isocyanurate | 潍坊玉成化工有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-108912065-B | Preparation method of tri (pentabromophenoxy) isocyanurate | 潍坊玉成化工有限公司 | 2022-03-11 | — | — | CN | disclosed |
| US-4994535-A | Molding material | HERCULES INCORPORATED (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0283719-A2 | Metathesis polymerized cross-linked halogen-containing copolymer | HERCULES INCORPORATED (US) | 1988-09-28 | — | — | EP | disclosed |