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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | AGXT | P21549 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARD | Q03181 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.50 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29382328 | 0.98 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL2091147 | 0.98 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Water SCHEMBL28328781 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Phenol SCHEMBL28310738 | 0.87 | MAOB (0.51) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL29212064 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL28567450 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8305017 | 0.82 | TAAR1 (0.58) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL8406148 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL3503547 | 0.81 | TAAR1 (0.56) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL248658 | 0.81 | CHRM2 (0.57) | ALDH1A1SMN1; SMN2TAAR1IDO1AGXT |
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-108101826-A | Indoles substituted alkylamine class compound and application thereof | 华东理工大学 | 2018-06-01 | — | — | CN | disclosed |