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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 SCHEMBL9320690 | 0.85 | KMT2A (0.48) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL758168 | 0.83 | KMT2A (0.49) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6117097 | 0.82 | MEN1 (0.46) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL192474 | 0.81 | KMT2A (0.48) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Bromide SCHEMBL7869141 | 0.80 | KMT2A (0.42) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7115006 | 0.79 | MEN1 (0.46) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4906709 | 0.77 | KMT2A (0.53) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Ethylenediamine SCHEMBL11573194 | 0.76 | MEN1 (0.43) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8428916 | 0.75 | ALDH1A1 (0.43) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| Bromide SCHEMBL7869132 | 0.75 | MEN1 (0.43) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8722824-B2 | Relative permeability modifiers based on hydrophobically modified cationic copolymers | ENI S.P.A. (IT) | 2014-05-13 | — | — | US | disclosed |
| US-20120130037-A1 | RELATIVE PERMEABILITY MODIFIERS BASED ON HYDROPHOBICALLY MODIFIED CATIONIC COPOLYMERS | ENI S.P.A. (IT) | 2012-05-24 | — | — | US | disclosed |