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 | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 SCHEMBL27340514 | 1.00 | CCR1 (0.42) | CCR1ALOX5DRD2DRD3CHRNB2 | |
| SCHEMBL285337 | 0.84 | CCR1 (0.39) | CCR1ALOX5DRD2DRD3CHRNB2 | |
| SCHEMBL11198210 | 0.77 | CCR1 (0.40) | CCR1ALOX5CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27500577 | 0.75 | ALOX5 (0.34) | ALOX5DRD2DRD3CHRNB2CHRNB4 | |
| SCHEMBL2000309 | 0.72 | CCR1 (0.40) | CCR1ALOX5CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL953748 | 0.72 | TRPA1 (0.43) | CCR1 | |
| SCHEMBL1687703 | 0.72 | ALOX5 (0.40) | ALOX5DRD2DRD3CHRNB2CHRNB4 | |
| SCHEMBL13848615 | 0.71 | CHRNB2 (0.36) | ALOX5DRD2DRD3CHRNB2CHRNB4 | |
| SCHEMBL18822219 | 0.71 | ALOX5 (0.39) | ALOX5DRD2DRD3CHRNB2CHRNB4 | |
| SCHEMBL28061477 | 0.71 | CHRNB2 (0.36) | ALOX5DRD2DRD3CHRNB2CHRNB4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1295072-A | New polycyclic system compound as neurotransmitter release reinforcer in treatment of identification fault and derivatives thereof | DU PONT PHARM CO (US) | 2001-05-16 | — | — | CN | claimed |
| CN-1295072-A | New polycyclic system compound as neurotransmitter release reinforcer in treatment of identification fault and derivatives thereof | DU PONT PHARM CO (US) | 2001-05-16 | — | — | CN | disclosed |