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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.39 |
| ▸ | HTR2B | P41595 | 8/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.36 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.36 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.36 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.36 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.36 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.36 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.36 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 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 | |
|---|---|---|---|---|
| SCHEMBL10564873 | 0.99 | HTR2C (0.40) | HTR2CHTR2BHTR2APNMTADCY6 | |
| SCHEMBL10568117 | 0.80 | HTR2C (0.56) | HTR2CHTR2BHTR2APNMT | |
| SCHEMBL10567704 | 0.79 | HTR2C (0.42) | HTR2CHTR2BHTR2APNMTADCY6 | |
| Hydrochloric Acid SCHEMBL10350486 | 0.79 | HTR2C (0.54) | HTR2CHTR2BHTR2APNMT | |
| Bromide SCHEMBL9827389 | 0.77 | PNMT (0.43) | HTR2CHTR2BHTR2APNMTKDM4E | |
| SCHEMBL10748990 | 0.76 | DRD1 (0.54) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL9826659 | 0.75 | PNMT (0.44) | HTR2CHTR2BHTR2APNMTKDM4E | |
| Bromide SCHEMBL10350481 | 0.75 | ADCY6 (0.57) | HTR2CHTR2BHTR2APNMTADCY6 | |
| SCHEMBL9537807 | 0.73 | ADCY6 (0.59) | HTR2CHTR2BHTR2APNMTADCY6 | |
| SCHEMBL10563633 | 0.72 | PNMT (0.44) | HTR2CHTR2BHTR2APNMTADCY6 |
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-0229510-B1 | SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES | SMITHKLINE BEECHAM CORPORATION (US) | 1990-06-06 | — | — | EP | disclosed |
| US-4824839-A | Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-25 | — | — | US | disclosed |
| US-4659706-A | Sulfinyl and sulfonyl substituted 3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-21 | — | — | US | disclosed |