Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.70 |
| ▸ | PLK4 | O00444 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 3/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 3/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.48 |
| ▸ | GSK3A | P49840 | 3/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.48 |
| ▸ | STK3 | Q13188 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30259055 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL5937366 | 0.82 | CYP1A2 (1.00) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL30258763 | 0.82 | CYP1A2 (0.70) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL8791662 | 0.82 | CYP1A2 (0.70) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL9176425 | 0.82 | CYP1A2 (0.56) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL10391265 | 0.82 | CYP1A2 (0.56) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL8791323 | 0.82 | CYP1A2 (0.65) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL11807411 | 0.80 | CYP1A2 (0.71) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL8791690 | 0.80 | ALDH1A1 (0.76) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA | |
| SCHEMBL8790887 | 0.78 | MAPT (0.64) | ALDH1A1CYP1A2SMN1; SMN2NPC1GAA |
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-2023020416-A1 | TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-02-23 | — | — | WO | disclosed |