Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | USP2 | O75604 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17031445 | 1.00 | HTT (0.63) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL19695833 | 0.94 | HTT (0.63) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL22631347 | 0.81 | HTT (0.63) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL17030873 | 0.80 | HTT (0.54) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL16637875 | 0.79 | PDGFRB (0.49) | PDGFRB | |
| SCHEMBL16647023 | 0.78 | CYP1A2 (0.66) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL16647042 | 0.78 | CYP1A2 (0.73) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL16647149 | 0.78 | CYP1A2 (0.63) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL19695780 | 0.77 | CYP1A2 (0.61) | HTTCYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL2797008 | 0.77 | HTT (1.00) | HTTCYP1A2CYP3A4CLK4CYP2C19 |
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-2023045960-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-03-30 | — | — | WO | disclosed |