Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21653069 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21653061 | 0.85 | KDM4E (0.37) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21653106 | 0.81 | MAP2K2 (0.38) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21653096 | 0.78 | GRM1 (0.46) | ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL21653390 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21652934 | 0.77 | ROCK1 (0.53) | ALDH1A1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL21653231 | 0.76 | MEN1 (0.41) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21653070 | 0.76 | MEN1 (0.44) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21652915 | 0.75 | CREBBP (0.55) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21653203 | 0.74 | SMN1; SMN2 (0.46) | ALDH1A1KDM4ECYP2C19CYP3A4CYP2C9 |
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 |