Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.64 |
| ▸ | PLK1 | P53350 | 1/20 | 0.64 |
| ▸ | BACE1 | P56817 | 1/20 | 0.64 |
| ▸ | KDM1A | O60341 | 3/20 | 0.58 |
| ▸ | CDK2 | P24941 | 2/20 | 0.58 |
| ▸ | CDK9 | P50750 | 2/20 | 0.58 |
| ▸ | GABRP | O00591 | 1/20 | 0.58 |
| ▸ | GABRD | O14764 | 1/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.58 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.58 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.58 |
| ▸ | CCNC | P24863 | 1/20 | 0.58 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.58 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21335354 | 0.91 | ACHE (0.77) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL28848659 | 0.85 | ACHE (0.67) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL22667448 | 0.83 | USP8 (0.60) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL28848511 | 0.80 | USP8 (0.70) | ACHEPLK1BACE1KDM1ACDK2 | |
| Moslosooflavone SCHEMBL6070206 | 0.79 | ACHE (1.00) | ACHEPLK1BACE1KDM1ACDK2 | |
| Moslosooflavone SCHEMBL29822243 | 0.79 | ACHE (1.00) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL22667444 | 0.79 | ABCB1 (0.54) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL25301059 | 0.78 | ABCB1 (0.65) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL27747645 | 0.77 | ACHE (0.66) | ACHEPLK1BACE1KDM1ACDK2 | |
| SCHEMBL27381642 | 0.75 | L3MBTL1 (0.53) | ACHEPLK1BACE1KDM1ACDK2 |
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-2020228513-A1 | NOVEL CDK9 INHIBITOR BASED ON BENZOPYRAN STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2020-11-19 | — | — | WO | disclosed |