Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20482718 | 1.00 | THRB (0.43) | THRBALOX12KMT2AALDH1A1CES2 | |
| SCHEMBL20482089 | 0.86 | CES2 (0.39) | THRBALOX12KMT2AALDH1A1CES2 | |
| SCHEMBL3532138 | 0.86 | TAS1R3 (0.44) | THRBALOX12KMT2A | |
| SCHEMBL3532143 | 0.86 | TAS1R3 (0.44) | THRBALOX12KMT2A | |
| SCHEMBL5339926 | 0.81 | TDP1 (0.48) | — | |
| SCHEMBL10132456 | 0.79 | NPC1 (0.52) | KMT2AALDH1A1 | |
| SCHEMBL20482125 | 0.79 | KDM2B (0.52) | KMT2AALDH1A1 | |
| SCHEMBL20482103 | 0.79 | KDM2B (0.52) | KMT2AALDH1A1 | |
| SCHEMBL20482097 | 0.79 | ALDH1A1 (0.49) | ALDH1A1 | |
| SCHEMBL3001673 | 0.79 | ALDH1A1 (0.49) | ALDH1A1 |
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-2018153820-A1 | PROCESS FOR THE PREPARATION OF CHIRAL PYROLLIDINE-2-YL- METHANOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-08-30 | — | — | WO | disclosed |