Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP14 | Q460N5 | 3/20 | 0.53 |
| ▸ | TDO2 | P48775 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.49 |
| ▸ | GABRD | O14764 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045951 | 0.89 | PARP14 (0.54) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045946 | 0.89 | PARP14 (0.54) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045903 | 0.83 | PARP14 (0.51) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045905 | 0.83 | PARP14 (0.51) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045883 | 0.82 | PARP14 (0.48) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045896 | 0.81 | PARP14 (0.49) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL29045898 | 0.81 | PARP14 (0.49) | PARP14TDO2KDM4EMEN1MAPT | |
| SCHEMBL2733976 | 0.79 | TDO2 (0.65) | TDO2KDM4EMEN1MAPTMAPK1 | |
| SCHEMBL29756407 | 0.79 | TDO2 (0.65) | TDO2KDM4EMEN1MAPTMAPK1 | |
| SCHEMBL30763470 | 0.78 | DYRK1A (0.63) | TDO2KDM4EMEN1MAPTMAPK1 |
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 |