Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6598542 | 0.85 | CA1 (0.51) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL6104799 | 0.81 | CA12 (0.50) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL23796566 | 0.78 | STK17B (0.41) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL19982963 | 0.77 | CYP3A4 (0.49) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL19983069 | 0.76 | CYP3A4 (0.46) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL19983253 | 0.76 | CTSK (0.49) | TDP1KDM4EMAPTNPSR1 | |
| SCHEMBL21152672 | 0.76 | CTSK (0.49) | TDP1KDM4EMAPTNPSR1 | |
| SCHEMBL23795889 | 0.75 | P2RX3 (0.39) | CYP3A4TDP1CA1CA2CA12 | |
| SCHEMBL22460387 | 0.74 | CTSK (0.47) | TDP1MAPTNPSR1 | |
| SCHEMBL22460388 | 0.74 | CTSK (0.47) | TDP1MAPTNPSR1 |
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 |