Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.58 |
| ▸ | PARP1 | P09874 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TNKS | O95271 | 4/20 | 0.50 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GUSB | P08236 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18923552 | 1.00 | PKM (0.62) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL29179915 | 0.85 | TNKS2 (0.59) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL10779491 | 0.83 | PKM (0.70) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL29179907 | 0.83 | PKM (0.60) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL7530802 | 0.81 | PKM (0.66) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL29179948 | 0.81 | PKM (0.66) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL29179963 | 0.81 | PKM (0.61) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL7533742 | 0.78 | PKM (0.72) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL29179916 | 0.77 | PARP1 (0.59) | PKMTNKS2PARP1KDM4EALDH1A1 | |
| SCHEMBL3118169 | 0.77 | PKM (1.00) | PKMTNKS2PARP1KDM4EALDH1A1 |
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-111518039-B | Preparation method of nonmetal-promoted 2-alkyl heteroarene compound | 西安交通大学 | 2022-05-06 | — | — | CN | disclosed |