Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1164441 | 0.79 | LMNA (0.41) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL14239872 | 0.77 | HCAR2 (0.45) | KDM4EALDH1A1LMNAMAPTHSD17B10 | |
| SCHEMBL10759266 | 0.76 | CYP2A6 (0.48) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL2644945 | 0.75 | MAPT (0.48) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL20574990 | 0.75 | KDM4E (0.58) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL24135327 | 0.75 | KDM4E (0.41) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL9113558 | 0.73 | ALKBH1 (0.42) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL17484762 | 0.72 | KDM4E (0.37) | CYP2A6KDM4EALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL22325530 | 0.70 | ALKBH1 (0.56) | SMN1; SMN2LMNAMAPT | |
| SCHEMBL8330832 | 0.68 | ADORA2A (0.38) | CYP2A6KDM4ECYP1A2CYP2D6CYP2C9 |
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-2020162612-A1 | PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL | 大正製薬株式会社 | 2020-08-13 | — | — | WO | disclosed |