Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3529275 | 0.77 | NOTUM (0.39) | ADRA2AADRA2BADRA2CCYP2D6ADRA1D | |
| SCHEMBL2407663 | 0.76 | TSHR (0.33) | ADRA2AADRA2BADRA2CCYP2D6ADRA1D | |
| SCHEMBL30361133 | 0.76 | TSHR (0.33) | ADRA2AADRA2BADRA2CCYP2D6ADRA1D | |
| SCHEMBL3530642 | 0.74 | NOTUM (0.39) | ALDH1A1ADRA2AADRA2BADRA2CCYP2D6 | |
| SCHEMBL26027881 | 0.73 | ADRA2A (0.58) | ALDH1A1GAAACACBADRA2AADRA2B | |
| SCHEMBL6370118 | 0.72 | ADRA2A (0.57) | ALDH1A1GAAACACBADRA2AADRA2B | |
| SCHEMBL23972326 | 0.72 | ACACB (0.61) | ALDH1A1GAAACACBADRA2AADRA2B | |
| SCHEMBL6967728 | 0.71 | CD44 (0.39) | ALDH1A1GAAADRA2AADRA2BDRD2 | |
| SCHEMBL26027594 | 0.70 | ACACB (0.71) | ACACBADRA2AADRA2BADRA2CCYP2D6 | |
| SCHEMBL26027598 | 0.69 | ACACB (0.54) | ALDH1A1GAAACACBADRA2AADRA2B |
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-2008132139-A2 | NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS | UCB PHARMA S.A. (BE) | 2008-11-06 | — | — | WO | disclosed |