Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | RORA | P35398 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241709 | 0.83 | CA1 (0.57) | ALDH1A1KDM4ECA2CA1CA9 | |
| SCHEMBL3768625 | 0.79 | HTR6 (0.46) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL660554 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAACA2CA1 | |
| Anthracene SCHEMBL27538789 | 0.77 | TTR (0.50) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL155232 | 0.77 | TTR (0.50) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL29623319 | 0.77 | TTR (0.50) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL6929900 | 0.76 | CA2 (0.44) | ALDH1A1GAACA2CA1CA9 | |
| SCHEMBL7983819 | 0.76 | POLB (0.39) | ALDH1A1KDM4EGAACCR2MEN1 | |
| SCHEMBL1394934 | 0.76 | TTR (0.48) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL725590 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAACA2CA1 |
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-108495833-B | Novel compound and semiconductor material containing same | DIC株式会社 | 2021-04-16 | — | — | CN | disclosed |
| CN-110627602-A | Organic photoelectric semiconductor material and synthesis method and application thereof | 天津大学 | 2019-12-31 | — | — | CN | disclosed |