Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28536782 | 0.87 | ROCK1 (0.45) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL28762184 | 0.82 | ROCK1 (0.48) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL23579413 | 0.80 | ROCK1 (0.46) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL1990819 | 0.80 | ROCK1 (0.46) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL14827764 | 0.80 | GAA (0.47) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL29974269 | 0.80 | ROCK1 (0.46) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL8824682 | 0.79 | ROCK1 (0.48) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL29287462 | 0.79 | MAPT (0.47) | ALDH1A1LMNAMAPTNPC1MAPK1 | |
| SCHEMBL2462174 | 0.78 | MAPT (0.57) | ROCK1ALDH1A1LMNADRD2MAPT | |
| SCHEMBL17560591 | 0.78 | DRD2 (0.49) | ROCK1ALDH1A1LMNADRD2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1109784-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012475-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |