Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | EGFR | P00533 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9615 | 0.88 | EGFR (0.82) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL11363687 | 0.86 | KDM4E (0.67) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL3533289 | 0.83 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1LMNAHPGD | |
| SCHEMBL6602730 | 0.78 | ALDH1A1 (0.49) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL12940747 | 0.77 | HSD17B10 (0.67) | KDM4EHSD17B10ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL10211609 | 0.76 | KDM4E (0.57) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL28447306 | 0.76 | EGFR (0.46) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL28445478 | 0.76 | EGFR (0.46) | KDM4EHSD17B10ALDH1A1LMNAEGFR | |
| SCHEMBL15383503 | 0.75 | KDM4E (0.84) | KDM4EHSD17B10ALDH1A1LMNAHPGD | |
| SCHEMBL12894110 | 0.74 | KDM4E (0.54) | KDM4EHSD17B10ALDH1A1LMNAHPGD |
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-108997230-B | Quinoxaline derivative with matrix metalloproteinase inhibitory activity, preparation method and application thereof | 山东大学 | 2020-08-04 | — | — | CN | disclosed |