Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 3/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL7004199 | 0.76 | LMNA (0.46) | LTA4HTP53TSHR | |
| SCHEMBL6097642 | 0.73 | ADRA1A (0.45) | NISCHHTR2BCYP1A2CYP2C19ADRA1A | |
| SCHEMBL31343493 | 0.70 | CYP2A6 (0.35) | CYP2A6LTA4HNISCHCYP1A2CYP2C19 | |
| SCHEMBL4955102 | 0.70 | LTA4H (0.51) | LTA4H | |
| SCHEMBL3848567 | 0.70 | LTA4H (0.51) | LTA4H | |
| SCHEMBL4955093 | 0.70 | LTA4H (0.51) | LTA4H | |
| SCHEMBL4959265 | 0.67 | NISCH (0.35) | CYP2A6LTA4HNISCH | |
| SCHEMBL6866771 | 0.67 | CHRNB4 (0.47) | LTA4HCYP1A2CYP2C19ADRA1ACYP3A4 | |
| SCHEMBL31191058 | 0.67 | CHRNB4 (0.47) | LTA4HCYP1A2CYP2C19ADRA1ACYP3A4 | |
| SCHEMBL16830889 | 0.66 | CYP2A6 (0.31) | CYP2A6LTA4H |
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-1296987-A1 | COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001098306-A1 | COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-12-27 | — | — | WO | disclosed |