Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910233 | 0.81 | CYP3A4 (0.34) | ACACBCYP3A4TSHR | |
| SCHEMBL7908118 | 0.79 | ALDH1A1 (0.45) | CYP3A4 | |
| SCHEMBL7909124 | 0.77 | BDKRB1 (0.34) | CYP3A4 | |
| SCHEMBL7915500 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL7913727 | 0.75 | KDM4E (0.37) | CYP3A4 | |
| SCHEMBL7908933 | 0.72 | TSHR (0.41) | CYP3A4TSHR | |
| SCHEMBL7910389 | 0.70 | HRH3 (0.36) | CYP3A4 | |
| SCHEMBL7912461 | 0.70 | CYP1A2 (0.47) | TSHR | |
| SCHEMBL7912463 | 0.70 | CA12 (0.37) | CYP3A4TSHR | |
| SCHEMBL7915828 | 0.70 | TSHR (0.39) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |