Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4789081 | 0.79 | TDP1 (0.46) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL4787846 | 0.73 | HRH1 (0.47) | TDP1TSHRDRD1HRH1DRD3 | |
| SCHEMBL4788836 | 0.72 | HRH3 (0.54) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL30150794 | 0.68 | LTA4H (0.73) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL1031593 | 0.68 | LTA4H (0.73) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL27767744 | 0.67 | HRH3 (0.55) | TDP1CYP1A2CYP2D6CYP2C19DRD1 | |
| SCHEMBL1027777 | 0.66 | LTA4H (0.71) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL5463193 | 0.66 | TDP1 (0.63) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL12586924 | 0.66 | ALDH1A1 (0.62) | TDP1TSHRPOLBCYP1A2CYP2D6 | |
| SCHEMBL30101340 | 0.66 | HRH3 (0.69) | TDP1TSHRPOLBCYP1A2CYP2D6 |
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-2008130319-A2 | NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |