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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4872590 | 0.98 | DDB1 (0.45) | DDB1CRBNDRD2HTR3ACYP2D6 | |
| SCHEMBL10797387 | 0.80 | HTR3A (0.51) | DDB1CRBNHTR3ACYP2D6SLC6A2 | |
| SCHEMBL4875615 | 0.80 | CYP1A2 (0.51) | DDB1CRBNDRD2HTR3ACYP2D6 | |
| SCHEMBL4866506 | 0.79 | MAOB (0.43) | DDB1CRBNKCNH2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL10799690 | 0.78 | HTR3A (0.50) | DDB1CRBNHTR3ACYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL15650239 | 0.78 | MAOB (0.42) | DDB1CRBNKCNH2HTR2AHTR2C | |
| SCHEMBL10797730 | 0.74 | MAOB (0.42) | DDB1CRBNCYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL10797308 | 0.73 | MAOB (0.41) | DDB1CRBNCYP2D6SLC6A2SLC6A4 | |
| Bromide SCHEMBL6882907 | 0.72 | MAOA (0.40) | KCNH2 | |
| SCHEMBL4869816 | 0.71 | SLC6A2 (0.40) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4642348-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | disclosed |
| US-4593102-A | N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |
| EP-0160436-A2 | N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-11-06 | — | — | EP | disclosed |