Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 3/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045901 | 1.00 | BCHE (0.49) | BCHETHRBBRAFDYRK1APARP14 | |
| SCHEMBL29986906 | 1.00 | BCHE (0.49) | BCHETHRBBRAFDYRK1APARP14 | |
| SCHEMBL29986612 | 0.88 | HTR2C (0.44) | BCHEBRAFDYRK1APARP14ACHE | |
| SCHEMBL29045894 | 0.88 | HTR2C (0.44) | BCHEBRAFDYRK1APARP14ACHE | |
| SCHEMBL29045890 | 0.88 | HTR2C (0.44) | BCHEBRAFDYRK1APARP14ACHE | |
| SCHEMBL29045927 | 0.87 | JAK2 (0.44) | BRAFDYRK1APARP14ACHEL3MBTL1 | |
| SCHEMBL29985536 | 0.87 | PARP14 (0.47) | BRAFDYRK1APARP14POLBL3MBTL1 | |
| SCHEMBL29045923 | 0.87 | JAK2 (0.44) | BRAFDYRK1APARP14ACHEL3MBTL1 | |
| SCHEMBL29045900 | 0.87 | AR (0.42) | BRAFDYRK1APARP14L3MBTL1RXFP1 | |
| SCHEMBL29045876 | 0.87 | PARP14 (0.47) | BRAFDYRK1APARP14POLBL3MBTL1 |
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 |