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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADH1B | P00325 | 2/20 | 0.34 |
| ▸ | ADH1C | P00326 | 2/20 | 0.34 |
| ▸ | ADH1A | P07327 | 2/20 | 0.34 |
| ▸ | ADH4 | P08319 | 2/20 | 0.34 |
| ▸ | ADH7 | P40394 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7946633 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| Bromide SCHEMBL7940382 | 0.82 | DNM1 (0.43) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL12715979 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL11510090 | 0.78 | CYP2D6 (0.40) | ALDH1A1KDM4EEPHX1LMNAGNAI3 | |
| Bromide SCHEMBL7948654 | 0.77 | DNM1 (0.39) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| Bromide SCHEMBL10942615 | 0.76 | DNM1 (0.37) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL11252411 | 0.75 | ADH1B (0.39) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL14623987 | 0.73 | ALDH1A1 (0.37) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL19901772 | 0.73 | KDM4E (0.37) | ALDH1A1KDM4EEPHX1DNM1TSHR | |
| SCHEMBL24353239 | 0.72 | EPHX1 (0.48) | ALDH1A1KDM4EEPHX1DNM1TSHR |
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-6261538-B1 | CHLOROMETHYLATED RESIN WITH AMINE PHOSPHONIUM SALTS | CHINA PETROCHEMICAL CORPORATION (CN) | 2001-07-17 | — | — | US | disclosed |