Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21653157 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653069 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653390 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653246 | 0.79 | MAPT (0.43) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653085 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653079 | 0.78 | MEN1 (0.44) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653177 | 0.77 | MAPT (0.46) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653070 | 0.77 | MEN1 (0.44) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21653182 | 0.76 | KMT2A (0.52) | KDM4ESMN1; SMN2MAPTTP53LMNA | |
| SCHEMBL21653203 | 0.72 | SMN1; SMN2 (0.46) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 |
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 |