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 | 0.58 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.58 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.58 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.58 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.58 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | CASR | P41180 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
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 SCHEMBL28076230 | 1.00 | CYP3A4 (0.58) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL15933354 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL27675560 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL11474471 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL27453134 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL24486065 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL15823791 | 0.98 | CYP3A4 (0.59) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL4947293 | 0.96 | CYP3A4 (0.61) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL27428618 | 0.96 | CYP3A4 (0.61) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL27865313 | 0.96 | CYP3A4 (0.61) | CYP3A4CHRM2HTR1AADRA2AADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108745215-A | A kind of preparation method of the organic smectite gel of high-expansion high thixotropic | 江苏海明斯新材料科技有限公司 | 2018-11-06 | — | — | CN | disclosed |