Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.51 |
| ▸ | HTR2C | P28335 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 4/20 | 0.43 |
| ▸ | MMP3 | P08254 | 3/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3568841 | 0.91 | HTR2A (0.53) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL3556337 | 0.86 | HTR2A (0.49) | HTR2AHTR2CALDH1A1GAACACNA1B | |
| SCHEMBL3556156 | 0.79 | SLC6A2 (0.58) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL4017004 | 0.77 | HTR2A (0.51) | HTR2AHTR2CALDH1A1GAATSHR | |
| SCHEMBL3941201 | 0.77 | TSHR (0.48) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL19558635 | 0.76 | ALDH1A1 (0.49) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL3556782 | 0.76 | RXFP1 (0.43) | CACNA1BCACNA1CMEN1LMNAMAPT | |
| SCHEMBL3564132 | 0.73 | RXFP1 (0.42) | CACNA1BCACNA1CMEN1LMNAKMT2A | |
| SCHEMBL3559225 | 0.71 | DRD2 (0.47) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL14045161 | 0.71 | HTR1A (0.40) | HTR2AHTR2CALDH1A1GAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1670470-B1 | PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-04-08 | — | — | EP | disclosed |