Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.39 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.39 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982963 | 0.90 | CYP3A4 (0.49) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL19983252 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL4956882 | 0.76 | TDP1 (0.50) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL19983124 | 0.76 | CTSK (0.48) | CTSK | |
| SCHEMBL19983325 | 0.75 | CTSK (0.75) | TDP1CTSKPOLB | |
| SCHEMBL30958391 | 0.74 | TDP1 (0.68) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL11982402 | 0.74 | CA1 (0.46) | TDP1CA1CA2CA12CA9 | |
| SCHEMBL8634314 | 0.73 | TDP1 (0.55) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL11900877 | 0.72 | CA1 (0.47) | TDP1CA1CA2CA12CA9 | |
| SCHEMBL12634724 | 0.72 | TDP1 (0.45) | TDP1CA1CA2CA12CA9 |
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 |