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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 SCHEMBL7788041 | 0.82 | MAOA (0.37) | MAOAMAOBNISCHTAAR1AOC3 | |
| SCHEMBL8164295 | 0.78 | TAAR1 (0.41) | MAOAMAOBNISCHTAAR1AOC3 | |
| SCHEMBL9716887 | 0.75 | TAAR1 (0.39) | MAOAMAOBNISCHTAAR1AOC3 | |
| Hydrochloric Acid SCHEMBL7943638 | 0.74 | MAOA (0.41) | MAOAMAOBNISCHTAAR1AOC3 | |
| Hydrochloric Acid SCHEMBL7943641 | 0.74 | TAAR1 (0.39) | MAOAMAOBNISCHTAAR1AOC3 | |
| Bromide SCHEMBL7788045 | 0.74 | MAOA (0.38) | MAOAMAOBNISCHTAAR1AOC3 | |
| SCHEMBL12814593 | 0.67 | HTR2A (0.35) | TAAR1ALDH1A1 | |
| SCHEMBL27933508 | 0.66 | SLC6A2 (0.42) | MAOATAAR1TRPA1 | |
| SCHEMBL12814411 | 0.65 | HTR2A (0.34) | TAAR1ALDH1A1 | |
| SCHEMBL4624071 | 0.64 | TAAR1 (0.44) | MAOAMAOBNISCHTAAR1AOC3 |
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-0639579-B1 | Preparation of metallocenes | ALBEMARLE CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5455333-A | Preparation of metallocenes | ALBEMARLE CORPORATION (US) | 1995-10-03 | — | — | US | disclosed |
| EP-0639579-A2 | Preparation of metallocenes | ALBEMARLE CORPORATION (US) | 1995-02-22 | — | — | EP | disclosed |