Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | USP8 | P40818 | 1/20 | 0.39 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL30713454 | 0.77 | PIP4K2A (0.35) | ALDH1A1TSHRMAPK1L3MBTL1CA1 | |
| SCHEMBL28359673 | 0.77 | PARP1 (0.49) | ALDH1A1CA1CA2USP8USP7 | |
| SCHEMBL29489130 | 0.75 | MCL1 (0.47) | CA1CA2KDM4ECES1CLK1 | |
| SCHEMBL23081379 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL29110490 | 0.75 | MCL1 (0.49) | ALDH1A1TSHRHSD17B10CA1CA2 | |
| SCHEMBL29110487 | 0.72 | CA1 (0.38) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL23081307 | 0.70 | MCL1 (0.36) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL16929708 | 0.69 | CYP1A2 (0.47) | ALDH1A1TSHRHSD17B10L3MBTL1CA1 | |
| Fluoranthene SCHEMBL28487225 | 0.68 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL5012665 | 0.68 | PDE9A (0.46) | ALDH1A1MAPK1HSD17B10CA1CA2 |
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-108675941-B | Non-doped hole transport material based on dicyano fluoranthene | 华中科技大学 | 2020-07-10 | — | — | CN | disclosed |