Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1271246 | 0.79 | MAOA (0.59) | MAOACYP3A4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL25303866 | 0.78 | SMN1; SMN2 (0.45) | MAOATSHRSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL25043755 | 0.78 | PTGS1 (0.43) | MAOATSHRMAPTHTTPTGS1 | |
| Hydrochloric Acid SCHEMBL9623496 | 0.77 | MAOA (0.61) | MAOACYP3A4SMN1; SMN2KDM4EPOLB | |
| SCHEMBL22721440 | 0.77 | ALDH1A1 (0.50) | MAOACYP3A4TSHRKDM4E | |
| SCHEMBL22721456 | 0.77 | ALDH1A1 (0.50) | MAOACYP3A4TSHRKDM4E | |
| SCHEMBL28617698 | 0.75 | HTT (0.47) | TSHRSMN1; SMN2KDM4EMAPTHTT | |
| SCHEMBL25859564 | 0.73 | CLK1 (0.41) | ALKTSHRSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL24165355 | 0.73 | MAOA (0.53) | MAOACYP3A4SMN1; SMN2POLB | |
| SCHEMBL3894423 | 0.73 | MAOA (0.53) | MAOACYP3A4SMN1; SMN2POLB |
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-106458912-A | Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics | 辉瑞公司 | 2017-02-22 | — | — | CN | disclosed |