Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 4/20 | 0.31 |
| ▸ | MAOA | P21397 | 3/20 | 0.31 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | USP9X | Q93008 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | GCK | P35557 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28572642 | 0.81 | KDM1A (0.41) | CTSSKDM1AMAOAMAOBCYP1A2 | |
| SCHEMBL28568405 | 0.72 | MEN1 (0.38) | KDM1AMAOAMAOBCYP1A2CYP3A4 | |
| SCHEMBL28577438 | 0.69 | CTSS (0.43) | CTSS | |
| SCHEMBL6267837 | 0.69 | HTR2A (0.44) | CYP1A2CYP2D6 | |
| SCHEMBL278375 | 0.68 | GAA (0.46) | CYP1A2CYP2D6 | |
| SCHEMBL22519226 | 0.67 | CYP1A2 (0.50) | CYP1A2CYP2D6 | |
| SCHEMBL28568324 | 0.67 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29706727 | 0.66 | GAA (0.47) | CYP1A2CYP2D6GCK | |
| SCHEMBL29706726 | 0.66 | CYP2D6 (0.46) | CYP1A2CYP2D6 | |
| SCHEMBL7070397 | 0.65 | GBA1 (0.55) | KDM1AMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109320481-B | Carboxylic acid NHPI ester decarboxylation alkylation method and application thereof in synthesis of diaryl derivatives | 南京大学 | 2021-01-12 | — | — | CN | disclosed |