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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1057055 | 0.98 | CYP2C19 (0.60) | CYP2C19POLBBLMATMACHE | |
| Iodide SCHEMBL5144335 | 0.95 | CYP2C19 (0.58) | CYP2C19POLBBLMATMACHE | |
| Hydrochloric Acid SCHEMBL28454759 | 0.95 | BLM (0.61) | CYP2C19POLBBLMATMACHE | |
| Bromide SCHEMBL28898530 | 0.83 | CYP2C19 (0.54) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL28907222 | 0.82 | CYP2C19 (0.58) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL5335351 | 0.81 | CYP2C19 (0.62) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL16353068 | 0.81 | CYP2C19 (0.62) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL570209 | 0.80 | CYP2C19 (0.56) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL16353072 | 0.79 | CYP2C19 (0.60) | CYP2C19POLBBLMATMACHE | |
| SCHEMBL16352986 | 0.79 | CYP2C19 (0.38) | CYP2C19POLBBLMATMACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-111566081-B | Bisamide compound and preparation method and application thereof | 天津安百胜医疗科技有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-111566081-A | Bisamide compound and preparation method and application thereof | 江苏达骏生物科技有限公司 | 2020-08-21 | — | — | CN | disclosed |