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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.56 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | PTPRF | P10586 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
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 SCHEMBL11580507 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL11725090 | 0.80 | KDM4E (0.45) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL11163108 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL1827960 | 0.78 | POLB (0.59) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL8664123 | 0.78 | MEN1 (0.94) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL10188095 | 0.77 | POLB (0.61) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL267666 | 0.77 | ALDH1A1 (0.70) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL7965212 | 0.76 | MEN1 (0.69) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL7857771 | 0.75 | MEN1 (0.56) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL8733830 | 0.74 | ALDH1A1 (0.71) | ALDH1A1MAPTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |