Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20323089 | 0.82 | ACHE (0.51) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL1470672 | 0.77 | ACHE (0.61) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL29458789 | 0.77 | ACHE (0.61) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL29535843 | 0.76 | ALDH1A1 (0.56) | ACHEABCG2ALDH1A1KDM4EMAPK1 | |
| SCHEMBL283173 | 0.76 | ALDH1A1 (0.56) | ACHEABCG2ALDH1A1KDM4EMAPK1 | |
| SCHEMBL4309836 | 0.75 | ACHE (0.54) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL14076795 | 0.74 | ACHE (0.54) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL30633883 | 0.74 | ACHE (0.62) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL21235656 | 0.74 | ACHE (0.62) | ACHEMAOBCA1CA2ALDH1A1 | |
| SCHEMBL25272516 | 0.72 | CA1 (0.46) | ACHEABCG2MAOBCA1CA2 |
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-109942361-B | Preparation method and application of aryl-substituted triphenylene compound | 南京大学 | 2022-03-15 | — | — | CN | disclosed |