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 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29367748 | 0.97 | — | — | |
| SCHEMBL60954 | 0.97 | — | — | |
| Formaldehyde SCHEMBL27818208 | 0.90 | HDAC1 (0.44) | ALDH1A1ACHEHDAC1HDAC6PTGS1 | |
| SCHEMBL8819778 | 0.84 | KMT2A (0.41) | ALDH1A1HDAC1HDAC6PTGS1PTGS2 | |
| SCHEMBL29089364 | 0.80 | ACHE (0.48) | ALDH1A1ACHEHDAC1HDAC6PTGS1 | |
| SCHEMBL26974251 | 0.80 | AKR1C3 (0.54) | ALDH1A1MEN1KMT2ANISCH | |
| SCHEMBL29475251 | 0.79 | — | — | |
| Bromide SCHEMBL28030910 | 0.78 | CA3 (0.46) | ALDH1A1ACHEPTGS1PTGS2CES2 | |
| SCHEMBL13906282 | 0.77 | TNKS2 (0.50) | ALDH1A1ACHEHDAC1HDAC6NISCH | |
| SCHEMBL12500 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |