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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.43 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
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 SCHEMBL9551278 | 1.00 | OPRK1 (0.54) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL10436048 | 0.99 | OPRK1 (0.55) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL10436047 | 0.99 | OPRK1 (0.55) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9551326 | 0.95 | OPRK1 (0.52) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL27341578 | 0.95 | OPRK1 (0.52) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL30493742 | 0.95 | ALDH1A1 (0.53) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9557005 | 0.94 | ALDH1A1 (0.52) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Bromide SCHEMBL9551321 | 0.91 | OPRK1 (0.47) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL9875934 | 0.89 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL9875926 | 0.89 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1043133-A | imidazole-containing peptide and preparation method thereof | TANABE SEIYAKU CO (JP) | 1990-06-20 | — | — | CN | disclosed |