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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
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 SCHEMBL8098506 | 0.82 | HTR1A (0.41) | HTR1ASLC6A4HDAC3HDAC4HDAC1 | |
| Water SCHEMBL7867947 | 0.77 | HTR1A (0.42) | HTR1ADRD2SLC6A4DRD3HDAC3 | |
| SCHEMBL11875197 | 0.74 | SLC6A4 (0.71) | HTR1ADRD2SLC6A4ALOX5HRH4 | |
| SCHEMBL4305233 | 0.73 | SLC6A2 (0.68) | SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11877675 | 0.73 | SLC6A4 (0.69) | HTR1ADRD2SLC6A4ALOX5HRH4 | |
| SCHEMBL14571713 | 0.72 | DRD4 (0.40) | HTR1ADRD2SLC6A4DRD4 | |
| SCHEMBL7870807 | 0.71 | SLC6A4 (0.48) | HTR1ADRD2SLC6A4HTR6DRD4 | |
| Bromide SCHEMBL7866149 | 0.70 | HRH4 (0.51) | DRD2HTR6DRD1DRD4DRD5 | |
| SCHEMBL19986821 | 0.69 | HDAC3 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Bromide SCHEMBL7867377 | 0.69 | SLC6A4 (0.46) | HTR1ADRD2SLC6A4HTR6HRH4 |
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 5 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 |
| WO-1997047302-A1 | INHIBITION OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1997-12-18 | — | — | WO | 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 |