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 | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 8/20 | 0.62 |
| ▸ | JAK2 | O60674 | 8/20 | 0.62 |
| ▸ | JAK1 | P23458 | 4/20 | 0.61 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.60 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.60 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | FFAR2 | O15552 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6560231 | 1.00 | TYK2 (0.62) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL1552932 | 0.97 | TYK2 (0.65) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL1552933 | 0.97 | TYK2 (0.65) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL6557858 | 0.83 | ROCK2 (0.64) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL6560266 | 0.83 | ROCK2 (0.68) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL6560180 | 0.82 | ROCK2 (0.63) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL6558257 | 0.82 | ROCK2 (0.63) | TYK2JAK2JAK1ROCK2ROCK1 | |
| SCHEMBL2464262 | 0.78 | SMN1; SMN2 (0.60) | TYK2JAK2ROCK2ROCK1MEN1 | |
| SCHEMBL2464260 | 0.78 | SMN1; SMN2 (0.60) | TYK2JAK2ROCK2ROCK1MEN1 | |
| SCHEMBL3512632 | 0.77 | TYK2 (0.73) | TYK2JAK2JAK1ROCK2ROCK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1391454-A1 | Substituted benzamide compounds with antihypertensive activity | Mitsubishi Pharma Corporation (JP) | 2004-02-25 | — | — | EP | disclosed |
| EP-1195372-A1 | N-heterocyclic substituted benzamide derivatives with antihypertensive activity | Mitsubishi Pharma Corporation (JP) | 2002-04-10 | — | — | EP | disclosed |
| US-5958944-A | TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-28 | — | — | US | disclosed |
| EP-0757038-A1 | BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-05 | — | — | EP | disclosed |