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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3467193 | 0.97 | — | — | |
| Bromide SCHEMBL27990402 | 0.94 | CALM1 (0.47) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL28128416 | 0.94 | CALM1 (0.47) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL27998477 | 0.94 | CALM1 (0.47) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL27990401 | 0.94 | CALM1 (0.47) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL9811820 | 0.94 | CALM1 (0.47) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| SCHEMBL264747 | 0.94 | — | — | |
| Iodide SCHEMBL10978534 | 0.90 | — | — | |
| SCHEMBL28118194 | 0.90 | — | — | |
| SCHEMBL11655663 | 0.90 | CALM1 (0.50) | CALM1TSHRALDH1A1IDO1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105683183-B | The pyridine being substituted-piperazinyl analog as RSV antiviral compounds | 爱尔兰詹森科学公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-105683183-A | Substituted pyridine-piperazinyl analogues as RSV antiviral compounds | 爱尔兰詹森科学公司 | 2016-06-15 | — | — | CN | disclosed |
| CN-103492376-B | Bicyclic heterocycle compounds and their uses in therapy | ASTEX THERAPEUTICS LTD | 2015-07-22 | — | — | CN | disclosed |