Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15384219 | 0.87 | CYP2C19 (0.46) | FFAR3CHRM3CYP2C19EPHX1NPSR1 | |
| SCHEMBL32660832 | 0.79 | SCN1A (0.40) | CHRM3CYP2C19EPHX1 | |
| SCHEMBL20848345 | 0.76 | ATM (0.32) | NPSR1 | |
| SCHEMBL14967604 | 0.75 | EPHX1 (0.33) | CYP2C19EPHX1NPSR1NAAA | |
| SCHEMBL14967396 | 0.75 | MAPK1 (0.30) | CYP2C19NPSR1 | |
| SCHEMBL3682364 | 0.74 | GAA (0.47) | FFAR3 | |
| SCHEMBL472141 | 0.73 | CYP2C19 (0.39) | CHRM3CYP2C19EPHX1NPSR1MAPT | |
| Hydrochloric Acid SCHEMBL3691483 | 0.73 | GAA (0.49) | FFAR3 | |
| SCHEMBL14967596 | 0.73 | — | — | |
| SCHEMBL19696494 | 0.73 | FFAR3 (0.36) | FFAR3NPSR1MAPT |
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-2240485-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Pharmaceutical Company Limited (JP) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009093747-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-07-30 | — | — | WO | disclosed |