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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.55 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.55 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.48 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.48 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.48 |
| ▸ | ADRB1 known ✓ | P08588 | 6/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.55 |
| ▸ | HTR3B | O95264 | 3/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.55 |
| ▸ | HTR5A | P47898 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | F11 | P03951 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7276571 | 0.98 | HTR3E (0.57) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27771950 | 0.89 | HTR3E (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL16927217 | 0.86 | AR (0.54) | HTR1ACA12CA9F11SLC6A2 | |
| SCHEMBL1150327 | 0.84 | MAPK1 (0.53) | HTR1ACA12CA9F11SLC6A2 | |
| Hydrochloric Acid SCHEMBL9727859 | 0.83 | MAPK1 (0.52) | HTR1ACA12CA9F11SLC6A2 | |
| SCHEMBL11198888 | 0.79 | HTR1A (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7282819 | 0.79 | HTR1A (0.46) | HTR1ACA12CA9F11SLC6A2 | |
| Hydrochloric Acid SCHEMBL7284758 | 0.78 | HTR1A (0.45) | HTR1ACA12CA9F11SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL30355108 | 0.78 | HTR3E (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9396608 | 0.77 | CDC7 (0.49) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |