Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 13/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28716563 | 0.92 | CYP1A2 (0.42) | CYP1A2NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL275321 | 0.83 | HDAC3 (0.36) | CYP1A2L3MBTL1MEN1KMT2AHPGD | |
| SCHEMBL5915087 | 0.83 | HDAC3 (0.36) | CYP1A2L3MBTL1MEN1KMT2AHPGD | |
| SCHEMBL14889184 | 0.82 | ALDH1A1 (0.36) | NPC1RAB9AL3MBTL1 | |
| Octane SCHEMBL1164389 | 0.80 | HDAC1 (0.39) | CYP1A2NPC1RAB9AL3MBTL1MEN1 | |
| Thiophene SCHEMBL2762416 | 0.77 | HDAC3 (0.33) | — | |
| SCHEMBL15375290 | 0.77 | HDAC1 (0.39) | CYP1A2NPC1RAB9AL3MBTL1MEN1 | |
| Acetaldehyde SCHEMBL591968 | 0.76 | HTT (0.35) | CYP1A2L3MBTL1 | |
| Ethylene Glycol SCHEMBL28574191 | 0.74 | HDAC3 (0.36) | NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL28501109 | 0.73 | NPC1 (0.42) | CYP1A2NPC1RAB9AL3MBTL1MEN1 |
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-109970768-B | Based on carbazole eleven-membered condensed ring planar nucleus D (A-Ar)2Organic photoelectric compound, preparation method and application | 常州大学 | 2020-12-25 | — | — | CN | disclosed |