Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | GFER | P55789 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | APOBEC3G | Q9HC16 | 7/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28562392 | 1.00 | GAA (0.67) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28562661 | 0.91 | MAPT (0.65) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28568030 | 0.90 | MEN1 (0.60) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28573093 | 0.89 | MAPT (0.62) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28561467 | 0.86 | ALDH1A1 (0.62) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28913584 | 0.86 | ALDH1A1 (0.70) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28561519 | 0.85 | MAPT (0.74) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28562624 | 0.85 | ALDH1A1 (0.60) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28570448 | 0.83 | MAPT (0.63) | GAAMAPTALDH1A1KDM4EGFER | |
| SCHEMBL28558508 | 0.81 | GAA (0.71) | GAAMAPTALDH1A1KDM4ELMNA |
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-110156704-B | 1,2, 4-triazole thioether derivative, crystal structure and application thereof | 湖南大学 | 2023-06-09 | — | — | CN | disclosed |