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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8037688 | 0.97 | CYP1A2 (0.30) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Bromide SCHEMBL8037734 | 0.77 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL8023609 | 0.74 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Bromide SCHEMBL8039934 | 0.69 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Bromide SCHEMBL8037467 | 0.69 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Bromide SCHEMBL8035053 | 0.68 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL8037575 | 0.66 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Bromide SCHEMBL8023747 | 0.66 | TSHR (0.32) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL8023871 | 0.66 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL8033464 | 0.65 | CYP2D6 (0.33) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |