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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5309600 | 0.98 | KMT2A (0.50) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL27606943 | 0.94 | MEN1 (0.47) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL28647257 | 0.87 | NPC1 (0.47) | KMT2AMEN1KDM4ELMNANPC1 | |
| Ether SCHEMBL28184866 | 0.85 | ADORA1 (0.44) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL10988703 | 0.85 | NPC1 (0.56) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL18806846 | 0.84 | ALDH1A1 (0.48) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL28426349 | 0.84 | KDM4E (0.45) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL1089189 | 0.83 | ALDH1A1 (0.55) | KMT2AMEN1KDM4ELMNAALDH1A1 | |
| SCHEMBL12332852 | 0.83 | KDM4E (0.41) | KMT2AMEN1KDM4ELMNANPC1 | |
| SCHEMBL27784580 | 0.83 | RIPK1 (0.50) | KMT2AMEN1KDM4ELMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113234083-B | Tetrahydroquinoline pyran compound and preparation method and application thereof | 华南理工大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-113234083-A | Tetrahydroquinoline pyran compound and preparation method and application thereof | 华南理工大学 | 2021-08-10 | — | — | CN | disclosed |