Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28448193 | 1.00 | EGFR (0.48) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28445478 | 0.88 | EGFR (0.46) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28447306 | 0.88 | EGFR (0.46) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28445383 | 0.87 | KDM4E (0.61) | KDM4ELMNAALDH1A1HSD17B10MAPT | |
| SCHEMBL28454187 | 0.80 | KDM4E (0.44) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28445422 | 0.80 | KDM4E (0.44) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28452103 | 0.79 | KDM4E (0.45) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28447304 | 0.79 | KDM4E (0.45) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL28443132 | 0.79 | MAPT (0.46) | EGFRKDM4ELMNAALDH1A1HSD17B10 | |
| SCHEMBL17601553 | 0.76 | GLP1R (0.51) | KDM4EALDH1A1HSD17B10MAPTPTPN1 |
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 |