Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.47 |
| ▸ | GABRP | O00591 | 2/20 | 0.46 |
| ▸ | GABRD | O14764 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.46 |
| ▸ | GABRE | P78334 | 2/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16531987 | 0.79 | AURKA (0.51) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL4098385 | 0.78 | AURKA (0.56) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL9994946 | 0.78 | HTT (0.56) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL699273 | 0.77 | LMNA (0.65) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL29367625 | 0.77 | LMNA (0.65) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL14199033 | 0.76 | GABRP (0.51) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL15868784 | 0.75 | KDM4E (0.52) | LMNAMEN1KMT2AL3MBTL1MAPT | |
| SCHEMBL21464133 | 0.75 | AURKA (0.49) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL21464410 | 0.75 | AURKA (0.50) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL21463441 | 0.75 | AURKA (0.51) | AURKAHSP90AA1GABRPGABRDGABRA1 |
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-104418866-A | DGAT1 inhibitor, and preparation method and application thereof | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-03-18 | — | — | CN | disclosed |