Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 9/20 | 0.58 |
| ▸ | TDO2 | P48775 | 3/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.58 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.58 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.58 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.58 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | GABRP | O00591 | 1/20 | 0.58 |
| ▸ | GABRD | O14764 | 1/20 | 0.58 |
| ▸ | IKBKB | O14920 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.58 |
| ▸ | TOP1 | P11387 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL17502357 | 1.00 | CHUK (0.58) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL23098918 | 0.86 | ACHE (0.58) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL26786210 | 0.82 | CHUK (0.45) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL13701001 | 0.79 | KIF11 (0.62) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL4819042 | 0.79 | CHUK (0.58) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL28340739 | 0.78 | TDO2 (0.50) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL14253017 | 0.78 | CHUK (0.61) | CHUKTDO2GABRA1GABRG2GABRB3 | |
| SCHEMBL30655964 | 0.77 | KIF11 (0.59) | TDO2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL783567 | 0.77 | KIF11 (0.59) | TDO2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL12003837 | 0.76 | KIF11 (0.57) | TDO2GABRA1GABRG2GABRB3GABRA5 |
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-115304597-A | Beta-carboline compounds and application thereof in preparing medicines for treating or preventing tumor diseases | 中国科学院深圳先进技术研究院 | 2022-11-08 | — | — | CN | disclosed |