Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 6/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.34 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.34 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.34 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.34 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15834785 | 1.00 | DYRK1A (0.41) | DYRK1ACDK9CYP2A6KDM4ETUBB4A | |
| SCHEMBL10885246 | 0.73 | KDM4E (0.37) | DYRK1AKDM4ETUBB4ATUBBTUBA3C | |
| SCHEMBL3130938 | 0.72 | ALDH1A1 (0.56) | KDM4EACHEHSD17B10 | |
| SCHEMBL2883909 | 0.72 | MAPT (0.56) | DYRK1AKDM4EACHEHSD17B10 | |
| SCHEMBL30553654 | 0.72 | ALDH1A1 (0.56) | KDM4EACHEHSD17B10 | |
| SCHEMBL2149910 | 0.70 | CYP2A6 (0.54) | DYRK1ACDK9CYP2A6KDM4ECYP3A4 | |
| SCHEMBL15834790 | 0.68 | DYRK1A (0.37) | DYRK1A | |
| SCHEMBL11336569 | 0.67 | ALDH1A1 (0.36) | DYRK1AKDM4ECYP3A4CYP2D6NFKB1 | |
| SCHEMBL4137601 | 0.67 | DYRK1A (0.42) | DYRK1ACDK9CYP2A6KDM4ECYP3A4 | |
| SCHEMBL17086914 | 0.66 | CYP2A6 (0.56) | DYRK1ACDK9CYP2A6KDM4ECYP3A4 |
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-114437096-A | Spiro-heterocyclic compound, and preparation method and application thereof | 上海医药集团股份有限公司 | 2022-05-06 | — | — | CN | disclosed |