Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.36 |
| ▸ | UNG | P13051 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL29127417 | 0.86 | PTGS2 (0.51) | PTGS2CYP2D6CYP2C19ALDH1A1SCN1A | |
| Acetophenone SCHEMBL14860336 | 0.83 | PTGS2 (0.54) | PTGS2ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL13653950 | 0.81 | NOS3 (0.53) | PTGS2SCN1ASCN2ASCN3ALMNA | |
| SCHEMBL13475881 | 0.80 | CA1 (0.48) | PTGS2ALDH1A1SCN1ASCN2ASCN3A | |
| Acetophenone SCHEMBL3398432 | 0.79 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTSMN1; SMN2CYP2A6 | |
| SCHEMBL30002551 | 0.79 | CA1 (0.52) | PTGS2ALDH1A1SCN1ASCN2ASCN3A | |
| Acetic Acid SCHEMBL29006939 | 0.75 | PTGS2 (0.49) | PTGS2CYP2D6CYP2C19SCN1ASCN2A | |
| SCHEMBL21708800 | 0.75 | MAPT (0.62) | ALDH1A1LMNAMAPTHDAC1HDAC2 | |
| SCHEMBL15518409 | 0.75 | MAPT (0.62) | ALDH1A1LMNAMAPTHDAC1HDAC2 | |
| SCHEMBL31482778 | 0.75 | AKR1C1 (0.49) | PTGS2CYP2D6CYP2C19ALDH1A1LMNA |
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-109312170-B | Compound and photosensitive resin composition comprising the same | 株式会社LG化学 | 2020-06-05 | — | — | CN | disclosed |