Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromo Benzyl Cyanide. 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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.95 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Bromo Benzyl Cyanide SCHEMBL27315132 | 0.97 | TRPA1 (1.00) | TRPA1TSHRCES2CES1DPP4 | |
| Bromo Benzyl Cyanide SCHEMBL437646 | 0.97 | TRPA1 (1.00) | TRPA1TSHRCES2CES1DPP4 | |
| Bromo Benzyl Cyanide SCHEMBL28184937 | 0.95 | TRPA1 (0.95) | TRPA1TSHRCES2CES1DPP4 | |
| Bromo Benzyl Cyanide SCHEMBL30600116 | 0.95 | TRPA1 (0.95) | TRPA1TSHRCES2CES1DPP4 | |
| Bromo Benzyl Cyanide SCHEMBL27879282 | 0.85 | TRPA1 (0.76) | TRPA1TSHRCES2CES1ALDH1A1 | |
| Bromo Benzyl Cyanide SCHEMBL28327913 | 0.76 | TRPA1 (0.61) | TRPA1TSHRALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL19734646 | 0.76 | TRPA1 (0.62) | TRPA1ALDH1A1HTTL3MBTL1USP2 | |
| SCHEMBL4066426 | 0.75 | TRPA1 (0.62) | TRPA1TSHRALDH1A1HTTL3MBTL1 | |
| SCHEMBL9804339 | 0.75 | TRPA1 (0.60) | TRPA1TSHRALDH1A1HTTLMNA | |
| SCHEMBL23451235 | 0.73 | TRPA1 (0.60) | TRPA1TSHRCES2CES1DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57171937-A | — | — | None | — | — | JP | disclosed |
| JP-S57171937-A | PRODUCTION OF ALPHA-BROMOPHENYLACETIC ESTER | WAKO PURE CHEM IND LTD | 1982-10-22 | — | — | JP | disclosed |