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 | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5609130 | 0.78 | CPA1 (0.49) | CPA1CYP1A2EPHX1ALDH1A1ALPI | |
| SCHEMBL187342 | 0.77 | CPA1 (0.52) | CPA1CYP1A2EPHX1ALDH1A1ALPI | |
| SCHEMBL5610245 | 0.75 | CPA1 (0.50) | CPA1CYP1A2EPHX1ALDH1A1ALPI | |
| SCHEMBL2555562 | 0.74 | CPA1 (0.59) | CPA1CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL1204735 | 0.73 | EPHX1 (0.52) | CPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL5609129 | 0.73 | CPA1 (0.49) | CPA1CYP1A2EPHX1ALDH1A1ALPI | |
| SCHEMBL3289735 | 0.73 | CPA1 (0.49) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL11036512 | 0.73 | CPA1 (0.49) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL9624229 | 0.73 | CPA1 (0.49) | CPA1CYP1A2EPHX1ALDH1A1ALPI | |
| SCHEMBL8124999 | 0.73 | CPA1 (0.49) | CPA1CYP1A2EPHX1ALDH1A1ALPI |
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-5681940-A | CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS | ICN PHARMACEUTICALS (US) | 1997-10-28 | — | — | US | disclosed |