Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.68 |
| ▸ | TEK | Q02763 | 13/20 | 0.68 |
| ▸ | YES1 | P07947 | 1/20 | 0.67 |
| ▸ | AURKB | Q96GD4 | 11/20 | 0.62 |
| ▸ | AURKA | O14965 | 9/20 | 0.61 |
| ▸ | TPX2 | Q9ULW0 | 6/20 | 0.61 |
| ▸ | LCK | P06239 | 4/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.55 |
| ▸ | CSF1R | P07333 | 1/20 | 0.55 |
| ▸ | KIT | P10721 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1265373 | 0.91 | KDR (0.69) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1265588 | 0.88 | KDR (0.80) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL2296344 | 0.88 | TEK (0.66) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1265555 | 0.86 | KDR (0.61) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1264019 | 0.86 | KDR (0.66) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1264824 | 0.86 | KDR (0.66) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1264726 | 0.85 | KDR (0.72) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1265978 | 0.85 | KDR (0.72) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL5312489 | 0.85 | KDR (0.62) | KDRTEKYES1AURKBAURKA | |
| SCHEMBL1265135 | 0.84 | KDR (0.64) | KDRTEKYES1AURKBAURKA |
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 |
|---|---|---|---|---|---|---|---|
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |