Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6978449 | 0.81 | CYP2A6 (0.52) | TDP1ALDH1A1CYP2A6 | |
| SCHEMBL18433308 | 0.78 | ALDH1A1 (0.39) | TP53TDP1ALDH1A1CYP2A6PIM1 | |
| SCHEMBL18935958 | 0.78 | ALDH1A1 (0.39) | TP53TDP1ALDH1A1CYP2A6PIM1 | |
| SCHEMBL144441 | 0.73 | CYP2A6 (0.57) | TP53TDP1ALDH1A1CYP2A6MAPT | |
| SCHEMBL9432315 | 0.71 | MAPT (0.49) | TP53ALDH1A1MAPT | |
| SCHEMBL3483474 | 0.70 | CA2 (0.59) | — | |
| SCHEMBL31359169 | 0.70 | ALDH1A1 (0.52) | TP53TDP1ALDH1A1MAPTPKM | |
| SCHEMBL8291879 | 0.69 | CYP2A6 (0.36) | ALDH1A1CYP2A6BACE1 | |
| SCHEMBL144549 | 0.69 | CYP2A6 (0.42) | ALDH1A1CYP2A6PIM1PIM2 | |
| SCHEMBL9389492 | 0.69 | SMN1; SMN2 (0.46) | TP53TDP1ALDH1A1CYP2A6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3125322-A1 | ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING LIQUID FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, METHOD FOR MANUFACTURING ORGANIC TRANSISTOR, METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND METHOD FOR SYNTHESIZING ORGANIC SEMICONDUCTOR MATERIAL | Fujifilm Corporation (JP) | 2017-02-01 | — | — | EP | disclosed |