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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028177 | 0.76 | PARP1 (0.56) | HRH4 | |
| SCHEMBL7203954 | 0.75 | HRH4 (0.53) | HRH4 | |
| SCHEMBL7859810 | 0.74 | MAPK14 (0.42) | MAPK14CCNT1CDK9 | |
| Bromide SCHEMBL7859742 | 0.73 | MAPK14 (0.48) | HRH4MAPK14CCNT1CDK9 | |
| Bromide SCHEMBL7870782 | 0.73 | HRH4 (0.50) | HRH4MAPK14CCNT1CDK9 | |
| SCHEMBL6645413 | 0.73 | CYP1A2 (0.42) | HRH4MAPK14 | |
| SCHEMBL6649390 | 0.73 | TNKS (0.45) | HRH4MAPK14CCNT1CDK9 | |
| SCHEMBL7901873 | 0.72 | CCNT1 (0.45) | HRH4CCNT1CDK9 | |
| SCHEMBL17888384 | 0.70 | HRH4 (0.52) | HRH4CCNT1CDK9 | |
| Bromide SCHEMBL7859770 | 0.70 | SLC6A4 (0.56) | — |
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-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |