Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.69 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21332094 | 0.85 | HCAR2 (0.48) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL22569116 | 0.84 | HTT (0.78) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL112388 | 0.82 | HCAR2 (1.00) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL29603529 | 0.82 | HCAR2 (1.00) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL10461109 | 0.80 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL431067 | 0.80 | POLB (0.67) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL578591 | 0.80 | POLB (0.67) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL31137907 | 0.80 | POLB (0.67) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL10500665 | 0.80 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 | |
| Hydrochloric Acid SCHEMBL6525205 | 0.80 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 |
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-102718761-A | Preparation method for nicergoline | ZHUHAI RUNDU PHARMACEUTICAL CO LTD | 2012-10-10 | — | — | CN | claimed |
| CN-102718761-A | Preparation method for nicergoline | ZHUHAI RUNDU PHARMACEUTICAL CO LTD | 2012-10-10 | — | — | CN | disclosed |