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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27561149 | 0.98 | LMNA (0.42) | LMNAHTTSMN1; SMN2GAACYP2C19 | |
| Bromide SCHEMBL27692435 | 0.78 | SMN1; SMN2 (0.46) | LMNAHTTSMN1; SMN2GAACYP2C19 | |
| SCHEMBL27567090 | 0.77 | CYP2C19 (0.47) | LMNACYP2C19HSD17B10CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27645649 | 0.76 | LMNA (0.41) | LMNAHTTSMN1; SMN2GAACYP2C19 | |
| SCHEMBL27626895 | 0.76 | SMN1; SMN2 (0.47) | LMNAHTTSMN1; SMN2GAACYP2C19 | |
| SCHEMBL18129416 | 0.75 | CYP1A2 (0.44) | CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL27658935 | 0.75 | ESR1 (0.48) | LMNACYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL27546844 | 0.73 | GSK3B (0.45) | LMNASMN1; SMN2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL27681531 | 0.73 | CRHBP (0.46) | LMNAHTTSMN1; SMN2CYP2C9KDM4E | |
| SCHEMBL27702963 | 0.73 | GSK3B (0.45) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083821-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2011-06-01 | — | — | CN | disclosed |
| CN-100363362-C | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | CN | disclosed |
| CN-1639158-A | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |