Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.33 |
| ▸ | USP2 | O75604 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3790736 | 0.79 | HTR1A (0.47) | HTR1ADRD2DRD3ALDH1A1HSD17B10 | |
| SCHEMBL3427271 | 0.78 | HTR1A (0.46) | HTR1ADRD2DRD3ALDH1A1HSD17B10 | |
| SCHEMBL3787538 | 0.71 | HTR1A (0.40) | HTR1ADRD2DRD3ALDH1A1HSD17B10 | |
| SCHEMBL7353199 | 0.68 | HTR1A (0.72) | HTR1ADRD2DRD3 | |
| SCHEMBL7381621 | 0.64 | HTR1A (1.00) | HTR1ADRD2DRD3 | |
| SCHEMBL2291757 | 0.61 | HTR1A (0.46) | HTR1AALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL1712525 | 0.61 | HTR1A (0.46) | HTR1AALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL2291319 | 0.61 | HTR1A (0.46) | HTR1AALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL4202579 | 0.59 | CYP1A2 (0.35) | HTR1AALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL20687538 | 0.59 | CYP1A2 (0.35) | HTR1AALDH1A1HSD17B10CYP1A2USP2 |
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-2257551-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009104147-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-27 | — | — | WO | disclosed |