Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 8/20 | 0.67 |
| ▸ | HTR1A | P08908 | 7/20 | 0.67 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.61 |
| ▸ | PIM1 | P11309 | 1/20 | 0.59 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.59 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | DHFR | P00374 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6348853 | 0.88 | CHRNB2 (0.61) | HTR7HTR1ACHRNB2CHRNA4PIM1 | |
| SCHEMBL29387046 | 0.86 | HTR7 (0.69) | HTR7HTR1APIM1PIM3CYP1A2 | |
| SCHEMBL15577956 | 0.86 | HTR7 (0.69) | HTR7HTR1APIM1PIM3CYP1A2 | |
| SCHEMBL941414 | 0.84 | PIM1 (0.65) | HTR7HTR1ACHRNB2CHRNA4PIM1 | |
| Hydrochloric Acid SCHEMBL27587884 | 0.83 | PIM1 (0.64) | HTR7HTR1ACHRNB2CHRNA4PIM1 | |
| SCHEMBL16570272 | 0.83 | CHRNB2 (0.52) | HTR7HTR1ACHRNB2CHRNA4PIM1 | |
| SCHEMBL6352432 | 0.83 | CHRNB2 (0.72) | CHRNB2CHRNA4PIM1PIM3PIM2 | |
| SCHEMBL1423292 | 0.82 | CHRNB2 (0.57) | HTR7HTR1ACHRNB2CHRNA4KDM4E | |
| SCHEMBL28721523 | 0.82 | MEN1 (0.58) | CYP1A2CYP3A4DHFRKDM4ETP53 | |
| SCHEMBL29507540 | 0.82 | CHRNB2 (0.87) | CHRNB2CHRNA4ADRB1HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137518-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |