Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4852520 | 0.94 | ALDH1A1 (0.61) | ALDH1A1DPP4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL4850658 | 0.82 | PIK3CD (0.61) | ALDH1A1PIK3CDPIK3CAPIK3CBAR | |
| SCHEMBL2825385 | 0.82 | DPP4 (0.42) | ALDH1A1DPP4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL4547951 | 0.71 | ALDH1A1 (0.54) | ALDH1A1PIK3CDPIK3CAPIK3CBSMN1; SMN2 | |
| SCHEMBL8738721 | 0.70 | PIK3CD (0.56) | ALDH1A1DPP4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL13787617 | 0.70 | PIK3CD (0.74) | ALDH1A1DPP4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL15265545 | 0.70 | ALDH1A1 (1.00) | ALDH1A1PIK3CDPIK3CAPIK3CBSMN1; SMN2 | |
| SCHEMBL21875351 | 0.70 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDTSHRTP53 | |
| SCHEMBL4845602 | 0.70 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDTSHRTP53 | |
| SCHEMBL4850285 | 0.69 | DPP4 (0.47) | ALDH1A1DPP4CTSBCTSSCTSK |
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-110520422-A | Novel pyridone carboxylic acid derivatives or its salt | WAKUNAGA PHARMA CO LTD | 2019-11-29 | — | — | CN | disclosed |