Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 8/20 | 0.42 |
| ▸ | CHRM2 known ✓ | P08172 | 7/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.42 |
| ▸ | CHKA known ✓ | P35790 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.47 |
| ▸ | RGS12 | O14924 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 2/20 | 0.33 |
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 SCHEMBL2816500 | 0.98 | APOBEC3A (0.46) | APOBEC3AAPOBEC3GRGS12CYP2D6CYP2C9 | |
| SCHEMBL4902837 | 0.93 | APOBEC3A (0.49) | APOBEC3AAPOBEC3GRGS12CYP2D6CYP2C9 | |
| SCHEMBL4546743 | 0.87 | CHKA (0.41) | APOBEC3AAPOBEC3GRGS12CYP2D6CYP2C9 | |
| SCHEMBL4906359 | 0.85 | CHKA (0.41) | APOBEC3AAPOBEC3GRGS12CYP2D6CYP2C9 | |
| Bromide SCHEMBL14861641 | 0.80 | LMNA (0.38) | APOBEC3AAPOBEC3GRGS12CYP2D6CYP2C9 | |
| Bromide SCHEMBL14914174 | 0.79 | LMNA (0.40) | APOBEC3AAPOBEC3GCHRM3CHRM2CHRM1 | |
| SCHEMBL14860448 | 0.78 | LMNA (0.39) | APOBEC3AAPOBEC3GCHRM3CHRM2CHRM1 | |
| Water SCHEMBL14863351 | 0.77 | LMNA (0.38) | APOBEC3AAPOBEC3GCHRM3CHRM2CHRM1 | |
| Water SCHEMBL14861736 | 0.77 | LMNA (0.38) | APOBEC3AAPOBEC3GCHRM3CHRM2CHRM1 | |
| SCHEMBL14860804 | 0.77 | LMNA (0.41) | APOBEC3AAPOBEC3GCHRM3CHRM2CHRM1 |
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-0853615-B1 | PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROSEARCH AS (DK) | 2003-12-10 | — | — | EP | disclosed |
| US-5981539-A | TREATMENT OF STROKE, ANOXIA, ISCHEMIA, MIGRAINE, PSYCHOSIS, EPILEPSY OR ANY OTHER CONVULSIVE DISORDER | NEUROSEARCH A/S (DK) | 1999-11-09 | — | — | US | disclosed |
| EP-0853615-A1 | PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROSEARCH A/S (DK) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997010212-A1 | PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROSEARCH A/S (DK) | 1997-03-20 | — | — | WO | disclosed |