Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 9/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19699881 | 0.90 | MPO (0.42) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL25357358 | 0.78 | NLRP3 (0.48) | ALDH1A1KMT2A | |
| SCHEMBL13885614 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2POLBP2RX4KDM4E | |
| SCHEMBL13322634 | 0.75 | KMT2A (0.44) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL30014534 | 0.75 | KMT2A (0.44) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL31495822 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL13174590 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL13886071 | 0.72 | SSTR4 (0.38) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL10103719 | 0.72 | MPO (0.42) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 | |
| SCHEMBL13708517 | 0.72 | MPO (0.42) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2HTR4 |
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-2009053799-A1 | NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-04-30 | — | — | WO | disclosed |