Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789140 | 0.85 | TDP1 (0.56) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1578362 | 0.82 | MEN1 (0.50) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21708253 | 0.82 | RELA (0.55) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3785577 | 0.81 | ALDH1A1 (0.50) | HDAC8CYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29492486 | 0.81 | ALDH1A1 (0.50) | HDAC8CYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL30610973 | 0.81 | HDAC3 (0.51) | HDAC3HDAC1HDAC8ACHECYP1A2 | |
| SCHEMBL11004268 | 0.80 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30206743 | 0.80 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30206740 | 0.80 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL654303 | 0.80 | ALDH1A1 (0.53) | HDAC8CYP3A4ALDH1A1CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883382-A | Organic semiconductor composition | 斯马特凯姆有限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-104204058-B | Organic semiconductor composition | 斯马特凯姆有限公司 | 2016-11-09 | — | — | CN | disclosed |