Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7121079 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ATMCYP2A13L3MBTL1POLB | |
| SCHEMBL31406212 | 0.83 | HRH3 (0.51) | ALDH1A1ATM | |
| SCHEMBL806942 | 0.80 | OPRM1 (0.55) | ALDH1A1CYP2A13POLBKDM4E | |
| SCHEMBL807487 | 0.80 | OPRM1 (0.55) | ALDH1A1CYP2A13POLBKDM4E | |
| SCHEMBL15084342 | 0.79 | ALDH1A1 (0.41) | ALDH1A1ATMCYP2A13L3MBTL1POLB | |
| SCHEMBL19013824 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ATMCYP2A13POLBKDM4E | |
| SCHEMBL19013829 | 0.78 | ALDH1A1 (0.41) | ALDH1A1ATMCYP2A13L3MBTL1POLB | |
| SCHEMBL21777183 | 0.77 | SCN8A (0.39) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL10210803 | 0.76 | ALDH1A1 (0.39) | ALDH1A1ATMCYP2A13L3MBTL1POLB | |
| SCHEMBL1843465 | 0.75 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2NPSR1 |
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-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |