Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL21653278 | 0.88 | SMN1; SMN2 (0.45) | ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A | |
| SCHEMBL21653250 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653240 | 0.85 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653243 | 0.84 | SMN1; SMN2 (0.44) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653129 | 0.84 | KDM4E (0.47) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653122 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653124 | 0.81 | PPARG (0.40) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21652912 | 0.81 | KDM4E (0.45) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653230 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653127 | 0.78 | 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 |