Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL11216585 | 0.80 | CYP2B6 (0.44) | CYP2B6HTTCYP2D6KCNH2CHRM2 | |
| SCHEMBL11042598 | 0.72 | CHRM3 (0.43) | CYP2B6HTTCYP2D6KCNH2CHRM2 | |
| N-Methylpiperidine SCHEMBL28869132 | 0.72 | CYP2B6 (0.48) | CYP2B6KCNN4CYP2D6KCNH2CHRM2 | |
| SCHEMBL7463197 | 0.71 | ALDH1A1 (0.41) | CYP2B6HTTKCNN4CYP2D6MAPK1 | |
| SCHEMBL9704880 | 0.68 | CYP2D6 (0.54) | CYP2D6KCNH2CHRM2CHRM1HTR1A | |
| SCHEMBL17911056 | 0.67 | KDM1A (0.53) | HTTCYP2D6KCNH2LMNAKDM1A | |
| SCHEMBL19296941 | 0.67 | CYP2B6 (0.63) | CYP2B6CYP2D6KCNH2CHRM2CHRM1 | |
| SCHEMBL7627201 | 0.67 | KDM1A (0.53) | HTTCYP2D6KCNH2LMNAKDM1A | |
| SCHEMBL2491599 | 0.67 | CYP2B6 (0.63) | CYP2B6CYP2D6KCNH2CHRM2CHRM1 | |
| SCHEMBL73610 | 0.67 | KDM1A (0.53) | HTTCYP2D6KCNH2LMNAKDM1A |
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-1227083-A1 | 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS | MEIJI SEIKA KAISHA LTD. (JP) | 2002-07-31 | — | — | EP | disclosed |