Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18117630 | 1.00 | CYP2A6 (0.40) | CYP2A6MAOBMAOANPSR1CYP1B1 | |
| SCHEMBL18117636 | 0.80 | MAOB (0.47) | CYP2A6MAOBMAOACYP1B1CYP1A2 | |
| SCHEMBL730070 | 0.80 | ALDH1A1 (0.61) | CYP2A6MAOANPSR1CYP1B1CYP1A2 | |
| SCHEMBL6254645 | 0.80 | ALDH1A1 (0.59) | MAOACYP1B1CYP1A2HSD17B10CYP1A1 | |
| SCHEMBL30352822 | 0.80 | ALDH1A1 (0.59) | MAOACYP1B1CYP1A2HSD17B10CYP1A1 | |
| SCHEMBL10028227 | 0.78 | CYP2A6 (0.35) | CYP2A6MAOANPSR1ALDH1A1MEN1 | |
| SCHEMBL17792032 | 0.76 | AHR (0.46) | CYP2A6MAOACYP1B1CYP1A2HSD17B10 | |
| SCHEMBL18125391 | 0.76 | ALDH1A1 (0.40) | MAOACYP1B1CYP1A2HSD17B10CYP1A1 | |
| SCHEMBL20404484 | 0.76 | CYP2A6 (0.40) | CYP2A6MAOBMAOACYP1B1CYP1A2 | |
| SCHEMBL29904998 | 0.73 | MAOB (0.35) | MAOBMAOATSHRCYP3A4AHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-120058657-A | High-performance coating material and organic electroluminescent device | 京东方科技集团股份有限公司 | 2025-05-30 | — | — | CN | disclosed |