Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6595181 | 0.73 | CYP1A2 (0.40) | CTSLCTSKCYP2D6CHRM2CHRM5 | |
| SCHEMBL19983011 | 0.72 | CTSK (0.47) | CTSLCTSKMEN1ALDH1A1PLG | |
| SCHEMBL19983124 | 0.71 | CTSK (0.48) | CTSLCTSKMEN1ALDH1A1PLG | |
| SCHEMBL19630778 | 0.69 | CTSK (0.47) | CTSLCTSKMEN1ALDH1A1PLG | |
| SCHEMBL23695721 | 0.63 | PAOX (0.52) | MEN1ALDH1A1PLGLMNATHRB | |
| SCHEMBL152548 | 0.63 | LMNA (0.65) | MEN1ALDH1A1PLGLMNATHRB | |
| SCHEMBL5193962 | 0.63 | LMNA (0.65) | MEN1ALDH1A1PLGLMNATHRB | |
| SCHEMBL28821576 | 0.63 | LMNA (0.65) | MEN1ALDH1A1PLGLMNATHRB | |
| SCHEMBL6826495 | 0.61 | LMNA (0.62) | MEN1ALDH1A1PLGLMNATHRB | |
| SCHEMBL7563047 | 0.60 | — | — |
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-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |