Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5859424 | 0.86 | CYP2C19 (0.41) | HTTALDH1A1LMNATP53GAA | |
| SCHEMBL15290670 | 0.80 | CYP2C19 (0.35) | HTTALDH1A1LMNATP53GAA | |
| SCHEMBL24922732 | 0.76 | HTR2C (0.40) | HTTALDH1A1LMNATP53GAA | |
| SCHEMBL21823166 | 0.76 | HTT (0.44) | HTTALDH1A1LMNATP53GAA | |
| SCHEMBL26248629 | 0.75 | ATR (0.36) | MKNK1CYP2C19 | |
| SCHEMBL16033990 | 0.73 | P2RX7 (0.46) | P2RX7 | |
| SCHEMBL26248622 | 0.73 | CYP2C19 (0.33) | MKNK1CYP2C19MAOAMAOB | |
| SCHEMBL19563123 | 0.73 | P2RX7 (0.48) | MKNK1CYP2C19MAOAMAOBP2RX7 | |
| SCHEMBL12134807 | 0.73 | ALDH1A1 (0.49) | HTTALDH1A1LMNATP53GAA | |
| SCHEMBL22993421 | 0.72 | ALDH1A1 (0.36) | HTTALDH1A1LMNATP53GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3321266-A1 | P2X7 MODULATORS | Janssen Pharmaceutica NV (BE) | 2018-05-16 | — | — | EP | disclosed |
| EP-2970271-B1 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-11-08 | — | — | EP | disclosed |