Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1535659 | 0.69 | ALDH1A1 (0.41) | ALDH1A1ADORA3HTR2CHTR3APDE4D | |
| SCHEMBL11315744 | 0.69 | NPC1 (0.51) | ALDH1A1ATMADORA3GABRA5NPSR1 | |
| SCHEMBL4051855 | 0.68 | MMP12 (0.55) | ALDH1A1KCNH2MEN1KMT2AHDAC1 | |
| SCHEMBL4059249 | 0.67 | MMP12 (0.44) | ALDH1A1CYP2D6DRD3PDE4DKCNH2 | |
| SCHEMBL13662212 | 0.66 | VKORC1 (0.42) | ALDH1A1LTA4HPDE4DGABRA5MEN1 | |
| SCHEMBL20181601 | 0.66 | POLB (0.48) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL7521287 | 0.66 | MMP3 (0.40) | ADORA3KCNH2HDAC1SMN1; SMN2ADCY10 | |
| SCHEMBL7040622 | 0.64 | HDAC1 (0.35) | ALDH1A1CYP2D6PDE4DKCNH2NPSR1 | |
| SCHEMBL1779841 | 0.64 | HDAC1 (0.42) | ALDH1A1CYP2D6DRD3PDE4DKCNH2 | |
| Formamide SCHEMBL15017827 | 0.63 | PDE5A (0.41) | ALDH1A1CYP2D6ADORA3PDE4DKCNH2 |
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-2678338-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2014-01-01 | — | — | EP | disclosed |
| WO-2012116217-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-08-30 | — | — | WO | disclosed |