Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PARP14 | Q460N5 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045870 | 1.00 | ALDH1A1 (0.54) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045877 | 0.96 | ALDH1A1 (0.49) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045873 | 0.96 | ALDH1A1 (0.49) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045896 | 0.93 | PARP14 (0.49) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045898 | 0.93 | PARP14 (0.49) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045903 | 0.89 | PARP14 (0.51) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045905 | 0.89 | PARP14 (0.51) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045944 | 0.86 | PARP14 (0.47) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045918 | 0.86 | PARP14 (0.47) | ALDH1A1PARP14KDM4ETDO2GABRP | |
| SCHEMBL29045883 | 0.83 | PARP14 (0.48) | ALDH1A1PARP14KDM4ETDO2GABRP |
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-115304597-B | Beta-carboline compounds and application thereof in preparation of medicines for treating or preventing tumor diseases | 中国科学院深圳先进技术研究院 | 2023-10-20 | — | — | CN | disclosed |
| 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 |