Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.85 |
| ▸ | GAA | P10253 | 2/20 | 0.85 |
| ▸ | MAPT | P10636 | 2/20 | 0.85 |
| ▸ | KIT | P10721 | 1/20 | 0.85 |
| ▸ | GABRP | O00591 | 1/20 | 0.68 |
| ▸ | GABRD | O14764 | 1/20 | 0.68 |
| ▸ | KDM1A | O60341 | 1/20 | 0.68 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.68 |
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.68 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.68 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.68 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.68 |
| ▸ | CCNC | P24863 | 1/20 | 0.68 |
| ▸ | CDK2 | P24941 | 1/20 | 0.68 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.68 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.68 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL8160531 | 0.93 | ALDH1A1 (0.82) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL4626785 | 0.92 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL29974322 | 0.89 | PPARG (0.81) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL27221221 | 0.89 | PPARG (0.81) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL26112503 | 0.89 | PPARG (0.81) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL27939886 | 0.89 | ALDH1A1 (0.76) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL31383399 | 0.87 | ALDH1A1 (0.69) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL661087 | 0.84 | ALDH1A1 (0.73) | ALDH1A1KDM4EGAAMAPTKIT | |
| SCHEMBL27974348 | 0.84 | MAPT (0.77) | ALDH1A1KDM4EGAAMAPTKIT | |
| Isothymusin SCHEMBL31483965 | 0.82 | PPARG (0.87) | ALDH1A1KDM4EGAAMAPTKIT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117740979-A | Method for establishing fingerprint of pinellia decoction reference sample | 国药集团德众（佛山）药业有限公司 | 2024-03-22 | — | — | CN | claimed |
| CN-117740979-A | Method for establishing fingerprint of pinellia decoction reference sample | 国药集团德众（佛山）药业有限公司 | 2024-03-22 | — | — | CN | disclosed |