Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALAD | P13716 | 1/20 | 0.34 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1529765 | 0.77 | CES2 (0.59) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL20283241 | 0.76 | GSK3B (0.54) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL21713056 | 0.76 | CES2 (0.57) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL23330432 | 0.71 | GSK3B (0.58) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL27720461 | 0.70 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTHSD17B10HPGD | |
| SCHEMBL21076841 | 0.70 | HDAC1 (0.38) | ALDH1A1LMNAMAPTNPSR1 | |
| SCHEMBL3450 | 0.70 | — | — | |
| SCHEMBL1032788 | 0.70 | — | — | |
| SCHEMBL24425982 | 0.69 | ALDH1A1 (0.66) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL27623970 | 0.69 | CES2 (0.73) | CES2CES1ALDH1A1LMNAGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796663-A4 | TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS INC (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-1796663-A2 | TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS | Athersys, Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006028961-A2 | TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS, INC. (US) | 2006-03-16 | — | — | WO | disclosed |