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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL657883 | 0.98 | MAPT (0.50) | MAPTGAACYP2C19CYP2C9NPSR1 | |
| SCHEMBL12495214 | 0.96 | LMNA (0.52) | MAPTGAACYP2C19CYP2C9NPSR1 | |
| SCHEMBL4055295 | 0.82 | ALDH1A1 (0.43) | MAPTGAACYP2C19CYP2C9NPSR1 | |
| SCHEMBL30839226 | 0.81 | KDM1A (0.48) | MAPTGAACYP2C19CYP2C9NPSR1 | |
| SCHEMBL1752645 | 0.78 | KDM1A (0.50) | GAACYP2C19CYP2C9NPSR1LMNA | |
| SCHEMBL1829575 | 0.78 | KDM1A (0.46) | GAACYP2C19CYP2C9NPSR1LMNA | |
| SCHEMBL11340048 | 0.78 | GAA (0.54) | MAPTGAANPSR1LMNASMN1; SMN2 | |
| SCHEMBL27261568 | 0.78 | HTT (0.58) | MAPTGAALMNASMN1; SMN2HTT | |
| SCHEMBL13802752 | 0.78 | CYP2D6 (0.53) | MAPTGAACYP2C19CYP2C9NPSR1 | |
| SCHEMBL29931822 | 0.77 | MEN1 (0.46) | CYP2C19LMNASMN1; SMN2ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001005359-A2 | AGENT FOR COLORING KERATIN FIBERS THAT CONTAINS AT LEAST ONE QUATERNARY HETEROCYCLIC ALDEHYDE OR ONE KETONE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-01-25 | — | — | WO | claimed |