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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 SCHEMBL11624070 | 0.84 | ACHE (0.53) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| Bromide SCHEMBL11627374 | 0.84 | ACHE (0.53) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| Bromide SCHEMBL11628156 | 0.84 | ACHE (0.53) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| SCHEMBL13052228 | 0.83 | ALDH1A1 (0.48) | TAS1R3TAS1R1PTGS2MEN1ALDH1A1 | |
| SCHEMBL1024752 | 0.82 | ACHE (0.54) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| SCHEMBL3654988 | 0.82 | ACHE (0.54) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| SCHEMBL29959275 | 0.82 | ACHE (0.54) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| SCHEMBL1022684 | 0.82 | ACHE (0.54) | NFKB1TAAR1BLMPMP22ALDH1A1 | |
| Bromide SCHEMBL9512729 | 0.80 | TUBB1 (0.42) | NEK1NFKB1PTGS1PTGS2TAAR1 | |
| SCHEMBL27898486 | 0.80 | NFKB1 (0.64) | TAS1R3TAS1R1NFKB1PTGS2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255728-B1 | PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE | TANABE SEIYAKU CO., LTD. (JP) | 1991-11-27 | — | — | EP | disclosed |
| US-4866196-A | ANTICOAGULANTS | TANABE SEIYAKU CO., LTD. (JP) | 1989-09-12 | — | — | US | disclosed |
| EP-0255728-A2 | Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use | TANABE SEIYAKU CO., LTD. (JP) | 1988-02-10 | — | — | EP | disclosed |