Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.69 |
| ▸ | HTR2B | P41595 | 3/20 | 0.65 |
| ▸ | HTR5A | P47898 | 3/20 | 0.65 |
| ▸ | HTR2C | P28335 | 1/20 | 0.65 |
| ▸ | TDO2 | P48775 | 13/20 | 0.63 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 5/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.55 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | GABRP | O00591 | 1/20 | 0.54 |
| ▸ | GABRD | O14764 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27817460 | 0.84 | TDO2 (0.80) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL29130512 | 0.83 | BCHE (0.71) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL17102943 | 0.82 | BCHE (0.69) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL29130522 | 0.82 | BCHE (0.69) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL28235310 | 0.81 | BCHE (0.64) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL29959679 | 0.79 | HTR2B (1.00) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL3400592 | 0.79 | HTR2B (1.00) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| Annomontine SCHEMBL2994062 | 0.78 | TDO2 (0.61) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL24105915 | 0.78 | TDO2 (1.00) | BCHEHTR2BHTR5AHTR2CTDO2 | |
| SCHEMBL30431392 | 0.78 | TDO2 (1.00) | BCHEHTR2BHTR5AHTR2CTDO2 |
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-103880842-B | The β-carboline analog derivative of tool HDAC inhibit activities and preparation method and purposes | NANTONG UNIVERSITY (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-103880842-A | Beta-carboline derivatives with HDAC (histone deacetylase) inhibitory activity as well as preparation method and application thereof | UNIV NANTONG | 2014-06-25 | — | — | CN | disclosed |