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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 8/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL175509 | 0.97 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL20860599 | 0.97 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| Hydrochloric Acid SCHEMBL3127060 | 0.94 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL9311457 | 0.87 | ALDH1A1 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| Dimethylaminoethanol SCHEMBL9646794 | 0.85 | MAPT (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL10426599 | 0.85 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL11236052 | 0.81 | MAPT (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CA12 | |
| SCHEMBL10868726 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL2564603 | 0.80 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL13315455 | 0.80 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005145924-A | QUATERNARY AMMONIUM SALT | KOEI CHEM CO LTD | 2005-06-09 | — | — | JP | disclosed |