Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.40 |
| ▸ | CLK1 | P49759 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 5/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18590498 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19DYRK1ADYRK1B | |
| SCHEMBL19559427 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19DYRK1ADYRK1B | |
| SCHEMBL19412464 | 0.80 | ESR2 (0.42) | ALDH1A1CYP1A2CYP2C19PRKCIDYRK1A | |
| SCHEMBL10282948 | 0.76 | PRKCI (0.47) | PRKCIDYRK1ADYRK1BDYRK2CLK1 | |
| SCHEMBL2711041 | 0.73 | QDPR (0.47) | PRKCIDYRK1APIK3CA | |
| SCHEMBL20177801 | 0.72 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C19PRKCIDYRK1A | |
| SCHEMBL13061962 | 0.72 | PRKCI (0.44) | PRKCIDYRK1ADYRK1BDYRK2CLK1 | |
| SCHEMBL19661448 | 0.71 | ESR2 (0.35) | ALDH1A1CYP1A2CYP2C19PRKCIKDM1A | |
| SCHEMBL18515380 | 0.71 | ESR2 (0.40) | ALDH1A1CYP1A2CYP2C19PRKCIKDM1A | |
| SCHEMBL5584893 | 0.70 | DYRK1A (0.42) | PRKCIDYRK1ADYRK1BDYRK2KDM1A |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |