Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 4/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD5 | P21918 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL4789082 | 0.79 | TDP1 (0.47) | TDP1TSHRPOLBSMN1; SMN2CYP1A2 | |
| SCHEMBL4749715 | 0.78 | HTR1B (0.44) | SMN1; SMN2ALDH1A1DRD1DRD4DRD5 | |
| SCHEMBL4750384 | 0.77 | PIM1 (0.38) | — | |
| SCHEMBL4788836 | 0.76 | HRH3 (0.54) | TDP1TSHRPOLBSMN1; SMN2CYP1A2 | |
| SCHEMBL4788569 | 0.76 | DRD3 (0.42) | POLBALDH1A1DRD3 | |
| SCHEMBL4788563 | 0.76 | DRD3 (0.42) | POLBALDH1A1DRD3 | |
| SCHEMBL4749778 | 0.76 | LTA4H (0.41) | POLBALDH1A1KDM4ELTA4H | |
| SCHEMBL30208017 | 0.74 | KDM1A (0.44) | TDP1LTA4H | |
| SCHEMBL19667511 | 0.74 | KDM1A (0.44) | TDP1LTA4H | |
| SCHEMBL4788759 | 0.74 | LTA4H (0.40) | POLBALDH1A1KDM4ELTA4H |
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 |