Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8967631 | 0.80 | SIGMAR1 (0.47) | SIGMAR1HRH3LTA4HSLC6A3CHRM2 | |
| SCHEMBL10397956 | 0.75 | SIGMAR1 (0.49) | SIGMAR1HRH3LTA4HSLC6A3CHRM2 | |
| SCHEMBL9284783 | 0.70 | SIGMAR1 (0.40) | SIGMAR1SLC6A3CHRM2CHRM1CHRM4 | |
| Hydrocinnamyl Alcohol SCHEMBL27517666 | 0.68 | TDP1 (0.61) | SIGMAR1LTA4HSLC6A3HTR2ASMN1; SMN2 | |
| Hydrocinnamyl Alcohol SCHEMBL27807032 | 0.68 | TDP1 (0.61) | SIGMAR1LTA4HSLC6A3HTR2ASMN1; SMN2 | |
| SCHEMBL10538923 | 0.68 | HDAC3 (0.50) | SIGMAR1SLC6A3HTR2ASMN1; SMN2NPC1 | |
| SCHEMBL29281939 | 0.68 | HDAC3 (0.50) | SIGMAR1SLC6A3CHRM3HTR2ASMN1; SMN2 | |
| SCHEMBL9284776 | 0.68 | SIGMAR1 (0.41) | SIGMAR1SLC6A3CHRM2CHRM1CHRM4 | |
| SCHEMBL8658859 | 0.67 | TDP1 (0.52) | SLC6A3CHRM3HTR2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7277595 | 0.67 | TDP1 (0.52) | SLC6A3CHRM3HTR2ASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5512584-A | 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-30 | — | — | US | disclosed |