Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL16026437 | 0.83 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2GAAMAPK1NPSR1 | |
| SCHEMBL7382064 | 0.82 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2MAPK1NPSR1HTT | |
| SCHEMBL4748498 | 0.81 | ALDH1A1 (0.87) | ALDH1A1SMN1; SMN2GAAMAPK1NPSR1 | |
| SCHEMBL61103 | 0.81 | ALDH1A1 (0.87) | ALDH1A1SMN1; SMN2GAAMAPK1NPSR1 | |
| Hydrochloric Acid SCHEMBL1374974 | 0.81 | ALDH1A1 (0.63) | ALDH1A1GAAMAPK1NPSR1HTT | |
| SCHEMBL13612640 | 0.81 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2MAPK1NPSR1HTT | |
| SCHEMBL10559301 | 0.79 | TP53 (0.68) | ALDH1A1GAAMAPK1NPSR1HTT | |
| SCHEMBL6174421 | 0.78 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2MAPK1NPSR1HTT | |
| SCHEMBL14350981 | 0.78 | NPSR1 (0.69) | ALDH1A1MAPK1NPSR1HTTKDM4E | |
| SCHEMBL9852558 | 0.77 | TRPV6 (0.55) | ALDH1A1GAAMAPK1HTTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1984331-B1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORP (US) | 2010-10-20 | — | — | EP | disclosed |