Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28422762 | 0.82 | SLC6A2 (0.39) | CHRM2HDAC3HDAC1HDAC2PDCD1LG2 | |
| SCHEMBL12240318 | 0.81 | HTR7 (0.47) | HTR1AHTR2AHTR2CSCN8AHTR1D | |
| SCHEMBL4961769 | 0.79 | ALOX5 (0.42) | KDM4EALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL726216 | 0.79 | KDM4E (0.46) | SCN8AMTNR1BKDM4EALDH1A1LMNA | |
| SCHEMBL21600902 | 0.77 | ADRB2 (0.42) | SCN8AHTR1BCHRM2CD274KDM4E | |
| SCHEMBL14341464 | 0.74 | ALOX5 (0.49) | HTR1AKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL2424037 | 0.73 | TAAR1 (0.42) | CD274KDM4EALDH1A1LMNATP53 | |
| SCHEMBL695730 | 0.73 | CA1 (0.42) | HTR2AHTR2CSCN8ACHRM2KDM4E | |
| SCHEMBL2380969 | 0.73 | CA1 (0.42) | SCN8ACHRM2KDM4EALDH1A1LMNA | |
| SCHEMBL696242 | 0.73 | TP53 (0.43) | CD274KDM4EALDH1A1LMNATP53 |
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-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |