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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.53 |
| ▸ | KDM4B | O94953 | 1/20 | 0.53 |
| ▸ | KDM5C | P41229 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.53 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.53 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.53 |
| ▸ | QPCT | Q16769 | 1/20 | 0.46 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29602491 | 0.98 | — | — | |
| SCHEMBL67119 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL16162592 | 0.96 | KDM4A (0.53) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Hydrochloric Acid SCHEMBL2308667 | 0.96 | KDM4A (0.53) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL27982384 | 0.96 | KDM4A (0.53) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL28092901 | 0.82 | QPCT (0.44) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL4048108 | 0.81 | KDM4A (0.41) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL4048111 | 0.81 | KDM4A (0.41) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL29837279 | 0.80 | — | — | |
| SCHEMBL89868 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1641423-A4 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1641423-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005013894-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-02-17 | — | — | WO | disclosed |