Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 5/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL10554578 | 0.91 | KCNH2 (0.43) | KCNH2NR4A2HTR3AHRH1CHRM1 | |
| SCHEMBL9565088 | 0.85 | KCNH2 (0.48) | KCNH2NR4A2HTR3AHRH1CHRM1 | |
| SCHEMBL9382803 | 0.84 | KCNH2 (0.64) | KCNH2NR4A2HTR3AHRH1CHRM1 | |
| SCHEMBL9536547 | 0.84 | SSTR5 (0.52) | HTR3A | |
| SCHEMBL9535735 | 0.83 | TP53 (0.51) | KCNH2NR4A2 | |
| SCHEMBL10804293 | 0.83 | KCNH2 (0.47) | KCNH2HRH1CHRM1RAB9ACYP2D6 | |
| Hydrochloric Acid SCHEMBL9537452 | 0.83 | TP53 (0.50) | KCNH2NR4A2 | |
| SCHEMBL9537190 | 0.82 | PRMT3 (0.44) | KCNH2HRH1CHRM1CYP2D6 | |
| SCHEMBL9538624 | 0.80 | KCNH2 (0.63) | KCNH2NR4A2HTR3AHRH1CHRM1 | |
| SCHEMBL9535904 | 0.79 | KCNH2 (0.54) | KCNH2NR4A2HTR3AHRH1CHRM1 |
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-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |