Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.59 |
| ▸ | AURKA | O14965 | 2/20 | 0.59 |
| ▸ | CDK4 | P11802 | 1/20 | 0.53 |
| ▸ | CCND1 | P24385 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
| ▸ | GABRD | O14764 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | CHUK | O15111 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29559082 | 0.94 | PARP1 (0.60) | PARP1AURKACDK4CCND1GABRA1 | |
| SCHEMBL29410201 | 0.94 | PARP1 (0.60) | PARP1AURKACDK4CCND1GABRA1 | |
| SCHEMBL9145 | 0.94 | PARP1 (0.60) | PARP1AURKACDK4CCND1GABRA1 | |
| SCHEMBL28982242 | 0.92 | PARP1 (0.58) | PARP1AURKACDK4CCND1GABRA1 | |
| Carbazole SCHEMBL143086 | 0.92 | ALDH1A1 (0.58) | PARP1AURKACDK4CCND1GABRA1 | |
| Hydrochloric Acid SCHEMBL2770160 | 0.92 | PARP1 (0.58) | PARP1AURKACDK4CCND1GABRA1 | |
| Carbazole SCHEMBL28956846 | 0.92 | ALDH1A1 (0.58) | PARP1AURKACDK4CCND1GABRA1 | |
| Acetic Acid SCHEMBL28916937 | 0.86 | PARP1 (0.53) | PARP1AURKACDK4CCND1GABRA1 | |
| Guanidine SCHEMBL6505156 | 0.84 | PARP1 (0.50) | PARP1AURKACDK4CCND1GABRA1 | |
| SCHEMBL27174122 | 0.84 | PARP1 (0.56) | PARP1AURKACDK4CCND1GABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293657-B | Alpha-carboline ketone compound and preparation method and application thereof | 成都大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-109293657-B | Alpha-carboline ketone compound and preparation method and application thereof | 成都大学 | 2021-06-01 | — | — | CN | disclosed |