Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | USP7 | Q93009 | 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 | |
|---|---|---|---|---|
| SCHEMBL21653143 | 0.89 | MAPT (0.36) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653153 | 0.87 | ALDH1A1 (0.36) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653255 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653250 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653078 | 0.85 | USP7 (0.39) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653240 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653129 | 0.83 | KDM4E (0.47) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653151 | 0.83 | PDE10A (0.35) | ALDH1A1TAS1R3TAS1R1TAS1R2RAB9A | |
| SCHEMBL21653140 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21652912 | 0.80 | KDM4E (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 |
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 |