Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21653270 | 0.89 | MAPT (0.42) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653255 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653250 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653233 | 0.84 | MAPT (0.39) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21652918 | 0.84 | GSK3B (0.36) | KDM4EMAPTCYP1A2MAPK1RAB9A | |
| SCHEMBL21653114 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653127 | 0.81 | KDM4E (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653118 | 0.81 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21652895 | 0.78 | MAPT (0.39) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653057 | 0.77 | MAPT (0.37) | ALDH1A1KDM4EMAPTCYP1A2HPGD |
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 |