Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18748269 | 0.84 | TSHR (0.45) | TSHRHPGDHTTSLC6A4HTR2A | |
| SCHEMBL30628261 | 0.81 | TSHR (0.41) | TSHRHPGDHTTRXRARXRB | |
| SCHEMBL17420682 | 0.81 | TSHR (0.41) | TSHRHPGDHTTRXRARXRB | |
| SCHEMBL17707963 | 0.80 | AR (0.53) | HPGDHTTHTR2ARXRARXRB | |
| SCHEMBL20224866 | 0.79 | DRD2 (0.41) | HTTSLC6A4HTR2AKCNH2DRD2 | |
| SCHEMBL17420581 | 0.79 | TSHR (0.43) | TSHRHPGDHTTHTR2ARXRA | |
| SCHEMBL30628252 | 0.79 | TSHR (0.43) | TSHRHPGDHTTHTR2ARXRA | |
| SCHEMBL18833356 | 0.79 | AR (0.43) | HPGDHTR2ARXRARXRBRXRG | |
| SCHEMBL28453498 | 0.79 | RXRA (0.40) | HPGDHTR2ARXRARXRBRXRG | |
| SCHEMBL2525158 | 0.77 | TSHR (0.56) | TSHRHPGDSLC6A4HTR2AMAPT |
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-104650049-B | Substituted pyridine compounds and its application method and purposes | 广东东阳光药业有限公司 | 2018-06-08 | — | — | CN | disclosed |