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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 6/20 | 0.41 |
| ▸ | UCHL1 | P09936 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.39 |
| ▸ | FPR3 | P25089 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 SCHEMBL542120 | 1.00 | KMT2A (0.45) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL607196 | 0.99 | KMT2A (0.45) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL607195 | 0.99 | KMT2A (0.45) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL14841147 | 0.98 | KMT2A (0.45) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL12333142 | 0.98 | KMT2A (0.45) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL13223861 | 0.96 | KMT2A (0.43) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 | |
| SCHEMBL13179251 | 0.94 | USP30 (0.44) | KMT2AUSP30UCHL1ALDH1A1LMNA | |
| SCHEMBL883274 | 0.93 | USP30 (0.43) | KMT2AUSP30UCHL1ALDH1A1LMNA | |
| SCHEMBL883261 | 0.93 | USP30 (0.43) | KMT2AUSP30UCHL1ALDH1A1LMNA | |
| SCHEMBL889015 | 0.91 | USP30 (0.43) | KMT2AUSP30UCHL1ALDH1A1HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414350-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-02-08 | — | — | EP | disclosed |