Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3751989 | 0.98 | CYP3A4 (0.45) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| Hydrochloric Acid SCHEMBL3291595 | 0.96 | CYP3A4 (0.43) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL2034203 | 0.91 | CYP3A4 (0.41) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL10392513 | 0.85 | S1PR1 (0.39) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL9187894 | 0.85 | ESR1 (0.44) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL895143 | 0.84 | CYP3A4 (0.47) | CYP3A4ALDH1A1SMN1; SMN2ALOX15CASP1 | |
| SCHEMBL30606647 | 0.83 | CYP3A4 (0.41) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL4409081 | 0.83 | CYP3A4 (0.41) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL2199266 | 0.81 | ALDH1A1 (0.54) | CYP3A4ALDH1A1ESR1ESR2TAAR1 | |
| SCHEMBL565208 | 0.80 | ESR1 (0.47) | CYP3A4ALDH1A1ESR1ESR2TAAR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0634407-B1 | Process for production of tris(tribromophenoxy)-s-triazine | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6075142-A | CATALYTICALLY REACTING CYANURIC CHLORIDE AND AQUEOUS TRIBROMOPHENOLATE SOLUTION CONTAINING A REDUCING AGENT AND A PHASE TRANSFER CATALYST TO FORM TRIS/TRIBROMOPHENOXY/-S-TRAIZINE | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2000-06-13 | — | — | US | disclosed |
| EP-0735084-B1 | Flame retardant thermoplastic styrenic resin composition | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 2000-01-12 | — | — | EP | disclosed |
| EP-0633253-B1 | Process for production of tris(tribromophenoxy)-s-triazine | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 1999-09-01 | — | — | EP | disclosed |
| US-5907040-A | REACTION OF CYANURIC CHLORIDE WITH BROMOPHENOL AND TERT-AMINECATALYSTS | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1999-05-25 | — | — | US | disclosed |
| US-5696302-A | INTERMEDIATES FOR PRODUCING TRIS(TRIBROMOPHENOXY)-S-TRIAZINE | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1997-12-09 | — | — | US | disclosed |
| US-5498714-A | FROM CYANURIC CHLORIDE AND TRIBROMOPHENOLATE, PHASE TRANSFER AGENT, REDUCING AGENT TO PREVENT POLYMERIZATION | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0634407-A1 | Process for production of tris(tribromophenoxy)-s-triazine | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1995-01-18 | — | — | EP | disclosed |
| EP-0633253-A1 | Process for production of tris(tribromophenoxy)-s-triazine | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1995-01-11 | — | — | EP | disclosed |