Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 9/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258135 | 0.78 | CCNB2 (0.63) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL20105033 | 0.76 | CCNB2 (0.48) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL5259358 | 0.75 | CCNB2 (0.55) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL20105008 | 0.74 | CCNB2 (0.46) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL5259593 | 0.73 | CNR1 (0.56) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL27574557 | 0.73 | CCNB2 (0.53) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL5257842 | 0.73 | CCNB2 (0.46) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL5259169 | 0.72 | CCNB2 (0.52) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| SCHEMBL5258553 | 0.72 | CNR1 (0.47) | CCNB2CDK1CCNB1CCNB3CNR1 | |
| Aloisine B SCHEMBL29408792 | 0.71 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018080215-A1 | 3-AMINO ALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2018-05-03 | — | — | WO | disclosed |