Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1133701 | 1.00 | CYP2D6 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL1845464 | 1.00 | CYP2D6 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL4212287 | 0.89 | GBA1 (0.35) | MAPK1MEN1KMT2A | |
| SCHEMBL3386468 | 0.89 | ALDH1A1 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL27228919 | 0.89 | ALDH1A1 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3386471 | 0.89 | ALDH1A1 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL928994 | 0.87 | CYP2D6 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3427107 | 0.87 | CYP2D6 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16611014 | 0.84 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16611012 | 0.84 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 |
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-2020040104-A1 | BICYCLIC HETEROAROMATIC RING DERIVATIVE | 杏林製薬株式会社 | 2020-02-27 | — | — | WO | disclosed |