Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | USP8 | P40818 | 1/20 | 0.50 |
| ▸ | USP7 | Q93009 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804790 | 0.90 | CA1 (0.59) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL769641 | 0.90 | CA1 (0.59) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL31251446 | 0.90 | CA1 (0.59) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL149126 | 0.90 | CA1 (0.64) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL29489128 | 0.90 | CA1 (0.64) | CA1CA2USP8USP7ALDH1A1 | |
| Anthracene SCHEMBL29110489 | 0.82 | CA1 (0.56) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL10824906 | 0.81 | CA1 (0.56) | CA1CA2USP8USP7ALDH1A1 | |
| Anthracene SCHEMBL29110499 | 0.80 | CA1 (0.59) | CA1CA2USP8USP7ALDH1A1 | |
| Naphthalene SCHEMBL29110492 | 0.79 | CA1 (0.58) | CA1CA2USP8USP7ALDH1A1 | |
| SCHEMBL30718953 | 0.79 | CA1 (0.42) | CA1CA2USP8USP7ALDH1A1 |
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-112409364-B | Hexaazanaphthalene derivative and preparation method and application thereof | 常州大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-112409364-A | Hexaazanaphthalene derivative and preparation method and application thereof | 常州大学 | 2021-02-26 | — | — | CN | disclosed |