Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 5/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8745771 | 0.79 | ESR1 (0.51) | CTSBSOS2NQO1ESR1ESR2 | |
| SCHEMBL7941665 | 0.75 | SOS2 (0.50) | CTSBSOS2NQO1ESR1ESR2 | |
| SCHEMBL5181894 | 0.75 | SOS2 (0.56) | CTSBSOS2NQO1ESR1ESR2 | |
| SCHEMBL5020169 | 0.73 | MALT1 (0.34) | CTSBNQO1 | |
| SCHEMBL13271162 | 0.69 | CTSB (0.50) | CTSBSOS2NQO1ESR1ESR2 | |
| SCHEMBL15413744 | 0.68 | CYP3A4 (0.48) | SOS2NQO1KDM4EALDH1A1 | |
| SCHEMBL30236776 | 0.68 | CYP3A4 (0.48) | SOS2NQO1KDM4EALDH1A1 | |
| SCHEMBL13291191 | 0.67 | SOS2 (0.50) | CTSBSOS2NQO1ESR1ESR2 | |
| SCHEMBL1996656 | 0.67 | MAPT (0.57) | SOS2NQO1KDM4EALDH1A1 | |
| SCHEMBL16372364 | 0.66 | SOS2 (0.48) | CTSBSOS2NQO1ESR1ESR2 |
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-2012064943-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |