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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
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 SCHEMBL6282864 | 0.97 | MAPT (0.42) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL415009 | 0.89 | MAPT (0.43) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL443973 | 0.88 | MAPT (0.44) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6346612 | 0.79 | MAPT (0.45) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL19402623 | 0.79 | TLR4 (0.46) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL321283 | 0.77 | TLR4 (0.52) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL12606807 | 0.77 | TLR4 (0.52) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| Bromide SCHEMBL8810175 | 0.77 | CYP2D6 (0.37) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2470785 | 0.76 | TLR4 (0.51) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL276016 | 0.76 | TLR4 (0.51) | MAPTALDH1A1MEN1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6914140-B1 | Asymmetric synthesis process | HOFFMANN-LA ROCHE INC. (US) | 2005-07-05 | — | — | US | disclosed |
| US-6069245-A | PRODUCING A 3-BENZOYLAMINO-4-BENZOYLOXYHEXAHYDROAZEPINE BY THE CATALYTIC HYDROGENATION OF THE 4-OXO-AMINE SALT DERIVATIVE; PROTECTING THE RING NITROGEN; FORMING A FUSED RING; HYDROLYSIS; ACYLATION AND DEPROTECTING | HOFFMANN-LA ROCHE INC. (US) | 2000-05-30 | — | — | US | disclosed |
| US-5902882-A | ASYMMETRICALLY HYDROGENATING AN AZEPINE COMPOUND IN THE PRESENCE OF A RUTHENIUM-DIPHOSPHINE COMPLEX CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1999-05-11 | — | — | US | disclosed |