Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | PDE2A | O00408 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22613055 | 0.84 | TSHR (0.61) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL15084360 | 0.84 | KDM4E (0.61) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL13059813 | 0.82 | KDM4E (0.61) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL31669175 | 0.81 | ALDH1A1 (0.74) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL4488404 | 0.81 | KDM4E (0.56) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL6769005 | 0.80 | ALDH1A1 (0.72) | KDM4EALDH1A1MAPTPOLBATM | |
| Hydrochloric Acid SCHEMBL7405455 | 0.79 | ALDH1A1 (0.70) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL6944191 | 0.78 | KDM4E (0.63) | KDM4EALDH1A1POLBATMKMT2A | |
| Cyclopentanamine SCHEMBL5925376 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1MAPTPOLBATM | |
| SCHEMBL15859935 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1MAPTPOLBATM |
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 |