Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.52 |
| ▸ | PRKDC | P78527 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13551836 | 0.80 | HSD17B1 (0.50) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL13551903 | 0.79 | ERN1 (0.63) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL11791151 | 0.76 | PRKDC (0.65) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL4649483 | 0.74 | MAPT (0.59) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL13551847 | 0.73 | MAPT (0.49) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL21865069 | 0.73 | TSHR (0.46) | HSD17B1HSD17B2PRKDCMAPTPIK3CA | |
| SCHEMBL19381145 | 0.73 | LGMN (0.64) | PRKDCMAPTPIK3CDPIK3CAPIK3CB | |
| SCHEMBL13551895 | 0.71 | PRKDC (0.59) | HSD17B1HSD17B2PRKDCMAPTPIK3CD | |
| SCHEMBL23693734 | 0.71 | PRKDC (0.55) | PRKDCMAPTPIK3CDPIK3CAPIK3CB | |
| SCHEMBL3047397 | 0.71 | LGMN (0.62) | HSD17B1HSD17B2PRKDCMAPTPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |