Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.65 |
| ▸ | MAPT | P10636 | 6/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | PKM | P14618 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30474602 | 0.89 | KDM4E (0.67) | GAAMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28239559 | 0.74 | KDM4E (0.57) | GAAMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28562392 | 0.74 | GAA (0.67) | GAAMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL30474615 | 0.74 | GAA (0.67) | GAAMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL30474603 | 0.71 | GAA (0.49) | GAAMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL591866 | 0.70 | MAPT (0.73) | GAAMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL31021335 | 0.70 | MAPT (0.73) | GAAMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7990948 | 0.68 | ALDH1A1 (0.62) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5075035 | 0.68 | ALDH1A1 (0.62) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16864095 | 0.68 | ALDH1A1 (0.62) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A |
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-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | claimed |
| CN-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | disclosed |