Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ATP4B | P51164 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16408503 | 1.00 | HRH2 (0.42) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL16408523 | 0.92 | HRH2 (0.42) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL17240890 | 0.92 | HRH2 (0.42) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| Cimetidine SCHEMBL11283011 | 0.84 | HRH2 (0.48) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| Cimetidine SCHEMBL15316685 | 0.84 | HRH2 (0.48) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL11357012 | 0.83 | CYP3A4 (0.45) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL16408506 | 0.79 | HRH2 (0.36) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL16399112 | 0.79 | HRH2 (0.36) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL11364278 | 0.78 | SMN1; SMN2 (0.46) | HRH2CYP3A4CYP2D6MEN1SLC22A2 | |
| SCHEMBL11005661 | 0.78 | CYP3A4 (0.51) | HRH2CYP3A4CYP2D6MEN1SLC22A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015009882-A2 | CYANO DERIVATIVES AND THEIR USES | THE HAMNER INSTITUTES (US) | 2015-01-22 | — | — | WO | claimed |
| WO-2015009882-A2 | CYANO DERIVATIVES AND THEIR USES | THE HAMNER INSTITUTES (US) | 2015-01-22 | — | — | WO | disclosed |