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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7560833 | 0.98 | HDAC3 (0.45) | HDAC3HDAC1HDAC2NAAAGAA | |
| Bromide SCHEMBL11348026 | 0.93 | NAAA (0.49) | HDAC3HDAC1HDAC2NAAAGAA | |
| Bromide SCHEMBL28663673 | 0.93 | NAAA (0.49) | HDAC3HDAC1HDAC2NAAAGAA | |
| SCHEMBL4629983 | 0.91 | NAAA (0.50) | HDAC3HDAC1HDAC2NAAAGAA | |
| SCHEMBL4631326 | 0.91 | NAAA (0.50) | HDAC3HDAC1HDAC2NAAAGAA | |
| SCHEMBL9155329 | 0.80 | NAPRT (0.37) | HDAC3HDAC1HDAC2NAAAGAA | |
| Bromide SCHEMBL5436825 | 0.79 | NAPRT (0.39) | HDAC3HDAC1HDAC2NAAAGAA | |
| SCHEMBL20448 | 0.78 | PTGS2 (0.57) | NAAAALDH1A1PTGS2 | |
| SCHEMBL7558408 | 0.77 | NAPRT (0.41) | HDAC3HDAC1HDAC2NAAAGAA | |
| SCHEMBL15964612 | 0.77 | CYP1A2 (0.34) | HDAC3HDAC1HDAC2NAAAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4304563-A | SHAMPOO OR CONDITIONER TO PREVENT OILY HAIR | SOCIETE ANONYNE DITE: L'OREAL (FR) | 1981-12-08 | — | — | US | disclosed |
| US-4177142-A | CLUMPING | ECODYNE CORPORATION (US) | 1979-12-04 | — | — | US | disclosed |