Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30171520 | 1.00 | PTGS1 (0.51) | PTGS1PTGS2AXLHCRTR2SLC6A4 | |
| SCHEMBL1851686 | 0.87 | HCRTR2 (0.65) | PTGS1PTGS2AXLHCRTR2SLC6A4 | |
| SCHEMBL18816928 | 0.82 | DHODH (0.52) | PTGS1AXLSLC6A4SLC6A3GABRG2 | |
| SCHEMBL29664560 | 0.80 | TDP1 (0.54) | AXLGABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL645854 | 0.80 | TDP1 (0.54) | AXLGABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL21290415 | 0.79 | PDK2 (0.42) | PTGS1PTGS2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8396868 | 0.78 | AXL (0.47) | AXLHCRTR2SLC6A4SLC6A3GABRG2 | |
| SCHEMBL1456964 | 0.78 | AXL (0.49) | AXLCYP3A4GABRG2GABRB3GABRA3 | |
| SCHEMBL3621439 | 0.77 | MAPK1 (0.55) | PTGS1PTGS2HCRTR2HCRTR1GABRG2 | |
| SCHEMBL17239501 | 0.77 | NTRK1 (0.53) | AXLSLC6A4SLC6A3GABRG2GABRB3 |
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-111004169-B | Synthesis method and application of polysubstituted pyridine derivative | 重庆大学 | 2022-12-23 | — | — | CN | disclosed |
| CN-111004169-A | Synthesis method and application of polysubstituted pyridine derivative | 重庆大学 | 2020-04-14 | — | — | CN | disclosed |