Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | USP1 | O94782 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20652800 | 0.78 | ENPP2 (0.32) | CYP1A2CYP2C19ENPP2TP53MAPT | |
| SCHEMBL20656242 | 0.77 | PKM (0.41) | TP53MAPTTSHR | |
| SCHEMBL20652824 | 0.72 | ACACB (0.32) | CYP1A2CYP2C19CYP2C9MKNK2 | |
| SCHEMBL20656215 | 0.72 | P2RX3 (0.36) | MAPTTSHR | |
| SCHEMBL24095629 | 0.72 | P2RX3 (0.34) | P2RX7USP1 | |
| SCHEMBL20652832 | 0.71 | PKM (0.39) | ENPP2TP53MAPTCNR1 | |
| SCHEMBL20652949 | 0.71 | PKM (0.39) | ENPP2TP53MAPTCNR1 | |
| SCHEMBL20652976 | 0.71 | PKM (0.39) | ENPP2TP53MAPTCNR1 | |
| SCHEMBL24095552 | 0.69 | CACNA2D1 (0.34) | CYP1A2CYP2C19ENPP2TP53MAPT | |
| SCHEMBL20656031 | 0.68 | PKM (0.41) | TP53MAPTUSP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |