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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | ADK | P55263 | 1/20 | 0.55 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL771769 | 0.98 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL29160554 | 0.91 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Oxalic Acid SCHEMBL31679098 | 0.89 | KDM4E (0.63) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5803103 | 0.89 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL722191 | 0.82 | NISCH (0.78) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL30514712 | 0.80 | DYRK1A (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6055845 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3407136 | 0.80 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL862114 | 0.80 | NISCH (0.75) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6630552 | 0.79 | SMPD3 (0.62) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-110551156-B | Specific group-modified N1, N3-substituted 4,5-diaryl imidazole ring carbene rhodium complex and preparation method and application thereof | 南京中医药大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-110551156-A | specific group modified N1, N3 substituted 4, 5-diaryl imidazole ring carbene rhodium complex and preparation method and application thereof | UNIV NANJING CHINESE MEDICINE | 2019-12-10 | — | — | CN | disclosed |