Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1595018 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9014964 | 0.94 | CALM1 (0.43) | CALM1ALDH1A1TSHRIDO1LOXL2 | |
| SCHEMBL4933345 | 0.87 | CALM1 (0.38) | CALM1ALDH1A1TSHRIDO1LOXL2 | |
| SCHEMBL28770901 | 0.87 | CALM1 (0.38) | CALM1ALDH1A1TSHRIDO1LOXL2 | |
| Acetic Acid SCHEMBL27837537 | 0.80 | CES2 (0.45) | ALDH1A1TSHRMAOBSMN1; SMN2 | |
| SCHEMBL3735566 | 0.74 | — | — | |
| SCHEMBL8780548 | 0.73 | CALM1 (0.50) | CALM1ALDH1A1TSHRIDO1LOXL2 | |
| SCHEMBL7362013 | 0.70 | ALDH1A1 (0.48) | CALM1ALDH1A1TSHRIDO1LOXL2 | |
| SCHEMBL9863667 | 0.69 | — | — | |
| SCHEMBL10967130 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746540-A1 | PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE | THE DOW CHEMICAL COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |
| US-5453542-A | Preparation of 4,6-diaminoresorcinol through a bisazoarylresorcinol intermediate | THE DOW CHEMICAL COMPANY (US) | 1995-09-26 | — | — | US | disclosed |
| WO-1995023130-A1 | PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE | THE DOW CHEMICAL COMPANY (US) | 1995-08-31 | — | — | WO | disclosed |