Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18748260 | 0.85 | LMNA (0.48) | NPSR1KCNH3MAPK1THRBMAPT | |
| SCHEMBL16236591 | 0.81 | TP53 (0.50) | SYKKCNH3MAPK1CYP1A2CYP2C19 | |
| SCHEMBL8307378 | 0.81 | APP (0.54) | SYKNPSR1MAPK1CYP1A2CYP2C19 | |
| SCHEMBL26248543 | 0.81 | KDM4E (0.47) | MAPTTDP1ALDH1A1KDM4E | |
| SCHEMBL26249094 | 0.81 | KDM4E (0.47) | MAPTTDP1ALDH1A1KDM4E | |
| SCHEMBL21600820 | 0.80 | ACACB (0.43) | KCNH3CYP2D6THRBMAPTCYP3A4 | |
| SCHEMBL631776 | 0.79 | KCNH3 (0.64) | KCNH3MAPK1THRBMAPTMEN1 | |
| SCHEMBL8349740 | 0.79 | SYK (0.50) | SYKNPSR1MAPK1CYP1A2CYP2C19 | |
| SCHEMBL15723552 | 0.78 | MAPK1 (0.58) | SYKNPSR1MAPK1CYP1A2CYP2C19 | |
| SCHEMBL18592250 | 0.78 | ALDH1A1 (0.43) | THRBMAPTMEN1KMT2ATDP1 |
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 |