Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28445478 | 1.00 | EGFR (0.46) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28451900 | 0.88 | EGFR (0.48) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28448193 | 0.88 | EGFR (0.48) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL9378 | 0.88 | EGFR (0.60) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28445383 | 0.84 | KDM4E (0.61) | ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL9365 | 0.82 | HDAC6 (0.43) | EGFRALDH1A1KDM4EMAPTGLA | |
| SCHEMBL28443100 | 0.78 | KDM4E (0.44) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28445463 | 0.77 | ALDH1A1 (0.43) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28451603 | 0.77 | ALDH1A1 (0.43) | EGFRALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL28449192 | 0.76 | KDM4E (0.71) | EGFRALDH1A1KDM4ELMNAHSD17B10 |
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 |