Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6685702 | 1.00 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1POLBMAPT | |
| SCHEMBL6685695 | 1.00 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1POLBMAPT | |
| SCHEMBL6688913 | 0.83 | ITGB1 (0.37) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL6688907 | 0.83 | ITGB1 (0.37) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL6688910 | 0.83 | ITGB1 (0.37) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL6692171 | 0.81 | NFE2L2 (0.44) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL6692165 | 0.81 | NFE2L2 (0.44) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL6692167 | 0.81 | NFE2L2 (0.44) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL6686706 | 0.81 | MAPT (0.48) | ALDH1A1MAPTL3MBTL1MAOBRAB9A | |
| SCHEMBL6686703 | 0.81 | MAPT (0.48) | ALDH1A1MAPTL3MBTL1MAOBRAB9A |
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-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |