Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | PER2 | O15055 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 4/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14102084 | 0.79 | PDE3B (0.34) | CHRM5TRPA1PDE3BPDE3AKDM1A | |
| SCHEMBL4722184 | 0.79 | PDE3B (0.33) | CHRM5TRPA1PDE3BPDE3AKDM1A | |
| Hydrochloric Acid SCHEMBL4765559 | 0.78 | PDE3B (0.33) | CHRM5DPP4TRPA1PDE3BPDE3A | |
| SCHEMBL4723904 | 0.76 | PDE3B (0.40) | PDE3BPDE3APPARGRORCKMT2A | |
| SCHEMBL4724319 | 0.73 | PDE3B (0.36) | PDE3BPDE3AKDM1AMAOAPPARG | |
| SCHEMBL4721234 | 0.73 | PDE3B (0.46) | PDE3BPDE3APPARGRORCKMT2A | |
| SCHEMBL4722680 | 0.72 | WDR5 (0.35) | PDE3BPDE3AHSD11B1TLR8PPARG | |
| SCHEMBL21131387 | 0.71 | TRPA1 (0.49) | CHRM5TRPA1ARHSD11B1SCN9A | |
| SCHEMBL30568360 | 0.71 | TRPA1 (0.49) | CHRM5TRPA1ARHSD11B1SCN9A | |
| SCHEMBL22016195 | 0.67 | SMN1; SMN2 (0.32) | — |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |