Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.33 |
| ▸ | PFKFB1 | P16118 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21652990 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653188 | 0.81 | NAMPT (0.42) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653189 | 0.79 | RAB9A (0.43) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653197 | 0.77 | RAB9A (0.55) | ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21653300 | 0.76 | PTPN1 (0.54) | ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21653191 | 0.75 | NAMPT (0.41) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21652984 | 0.75 | ALOX15 (0.48) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL21652982 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4ETYK2HPGDRAB9A | |
| SCHEMBL21653202 | 0.71 | CNR2 (0.43) | ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21653203 | 0.69 | SMN1; SMN2 (0.46) | 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 |