Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21653153 | 0.87 | ALDH1A1 (0.36) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21653122 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21653113 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21653146 | 0.86 | MET (0.33) | MAPTMAPK1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL21653143 | 0.86 | MAPT (0.36) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21653257 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21653151 | 0.76 | PDE10A (0.35) | ALDH1A1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL21653256 | 0.76 | MAPT (0.34) | ALDH1A1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL21653270 | 0.75 | MAPT (0.42) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL21633869 | 0.75 | TP53 (0.35) | ALDH1A1HPGDMAPTMAPK1KMT2A |
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-2020023657-A1 | PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS | Epizyme, Inc. (US) | 2020-01-30 | — | — | WO | disclosed |