Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL3045851 | 0.83 | CYP2A6 (0.33) | CYP2A6ALDH1A1MAOBPYCR1CTSK | |
| SCHEMBL9398476 | 0.79 | ESR1 (0.50) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL30338404 | 0.79 | MAPT (0.39) | ALDH1A1MEN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5645124 | 0.78 | CYP2D6 (0.49) | ALDH1A1MEN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30338171 | 0.71 | SHBG (0.40) | CYP2A6ALDH1A1MEN1KMT2AESR1 | |
| SCHEMBL30338469 | 0.71 | CYP2A6 (0.38) | CYP2A6ALDH1A1MEN1KMT2AESR1 | |
| SCHEMBL13578 | 0.71 | CYP2A6 (0.38) | CYP2A6ALDH1A1MEN1KMT2AMAOB | |
| SCHEMBL1141384 | 0.71 | CA1 (0.34) | CYP2A6ALDH1A1KMT2AMAOBPYCR1 | |
| SCHEMBL20782023 | 0.70 | APP (0.47) | ALDH1A1ESR1ESR2HSD17B10 | |
| SCHEMBL8503879 | 0.69 | ESR1 (0.44) | CYP2A6ALDH1A1CYP2D6CYP2C9CYP2C19 |
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-111362833-B | Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof | 陕西师范大学 | 2023-04-25 | — | — | CN | disclosed |