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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10482167 | 0.98 | GABRA1 (0.43) | GABRA1GABRB2TAAR1HTR1ASLC9A1 | |
| Hydrochloric Acid SCHEMBL130212 | 0.96 | GABRA1 (0.42) | GABRA1GABRB2TAAR1HTR1ASLC9A1 | |
| SCHEMBL11081926 | 0.83 | GABRA1 (0.43) | GABRA1GABRB2TAAR1HTR1ASLC9A1 | |
| SCHEMBL30498855 | 0.83 | GABRA1 (0.43) | GABRA1GABRB2TAAR1HTR1ASLC9A1 | |
| Bromide SCHEMBL637596 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL23044955 | 0.81 | GABRA1 (0.45) | GABRA1GABRB2TAAR1HTR1ASLC9A1 | |
| SCHEMBL6573497 | 0.80 | LIPG (0.41) | KCNH2 | |
| SCHEMBL27231396 | 0.80 | LIPG (0.41) | KCNH2 | |
| SCHEMBL643737 | 0.80 | GABRA1 (0.43) | GABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL26909714 | 0.79 | GABRA1 (0.43) | GABRA1GABRB2TAAR1HTR1ASLC9A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003080565-A1 | PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PHENYLACETONITRILES | GLOBAL BULK DRUGS & FINE CHEMICALS PVT. LTD. (IN) | 2003-10-02 | — | — | WO | disclosed |
| US-6121386-A | A SURFACE COATING TO IMPROVE OLEFIN RESIN FILMS COATABILITY E.G., ADHESION, COMPRISING A BLEND OF EPOXIDIZED BLOCK COPOLYMER OF AN AROMATIC VINYL COMPOUND AND A CONJUGATED DIENE, AND A POLYMER WITH A REACTIVE FUNCTIONAL GROUP | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-09-19 | — | — | US | disclosed |
| EP-0879861-A1 | RESIN COMPOSITIONS FOR COATING | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-25 | — | — | EP | disclosed |
| US-4874859-A | CROSSLINKING AGENT | SOCIETE CHIMIQUE DES CHARBONNAGES (FR) | 1989-10-17 | — | — | US | disclosed |