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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2728937 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| Bromide SCHEMBL4240042 | 0.77 | — | — | |
| SCHEMBL17432 | 0.75 | — | — | |
| SCHEMBL12509540 | 0.74 | — | — | |
| SCHEMBL727185 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL724866 | 0.74 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL29485692 | 0.74 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| Bromide SCHEMBL146199 | 0.73 | — | — | |
| Picolamine SCHEMBL2404845 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2076896 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069601-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |