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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4066721 | 0.99 | L3MBTL1 (0.45) | L3MBTL1KMT2AMEN1PKMALOX15 | |
| Bromide SCHEMBL4543315 | 0.81 | HDAC1 (0.61) | L3MBTL1ALDH1A1KDM4EHDAC1HDAC6 | |
| SCHEMBL1882612 | 0.79 | HDAC1 (0.62) | L3MBTL1ALDH1A1KDM4EHDAC1HDAC6 | |
| SCHEMBL29823139 | 0.79 | HDAC1 (0.62) | L3MBTL1ALDH1A1KDM4EHDAC1HDAC6 | |
| Bromide SCHEMBL5140827 | 0.79 | HDAC1 (0.43) | L3MBTL1KMT2AMEN1PKMALOX15 | |
| Bromide SCHEMBL4550638 | 0.79 | HDAC1 (0.58) | L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL4550690 | 0.78 | HDAC1 (0.52) | L3MBTL1KMT2AMEN1ALDH1A1HDAC1 | |
| SCHEMBL4066232 | 0.78 | HDAC1 (0.44) | L3MBTL1KMT2AMEN1PKMALOX15 | |
| SCHEMBL29823178 | 0.77 | HDAC1 (0.59) | L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1882131 | 0.77 | HDAC1 (0.59) | L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |