Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 2/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL23586239 | 0.81 | NR1I3 (0.39) | NR1I3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL15947979 | 0.81 | PDE4D (0.44) | NR1I3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL23586226 | 0.75 | NR1I3 (0.40) | NR1I3PDE4DPDE4BHTTCHRNB4 | |
| SCHEMBL15658923 | 0.75 | PDE4D (0.42) | NR1I3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL16682880 | 0.74 | IDH1 (0.40) | NR1I3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL15662341 | 0.74 | CYP19A1 (0.40) | NR1I3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL15659115 | 0.68 | PDE4B (0.42) | NR1I3PDE4DPDE4BALDH1A1KDM4E | |
| SCHEMBL15660206 | 0.65 | PDE4D (0.41) | NR1I3PDE4DPDE4BADORA2AADORA1 | |
| SCHEMBL16668679 | 0.65 | PDE4D (0.41) | NR1I3NPC1RAB9APDE4DPDE4B | |
| SCHEMBL15948019 | 0.65 | PDE4D (0.42) | NR1I3PDE4DPDE4BHRH4DHPS |
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 |
|---|---|---|---|---|---|---|---|
| EP-3842420-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners LLC (US) | 2021-06-30 | — | — | EP | disclosed |