Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553740 | 0.94 | ALDH1A1 (0.60) | ALDH1A1MAPTABCB1PGRCHRM2 | |
| Hydrochloric Acid SCHEMBL8555461 | 0.93 | ALDH1A1 (0.59) | ALDH1A1MAPTABCB1PGRCHRM2 | |
| SCHEMBL8551873 | 0.91 | SCN1A (0.55) | ALDH1A1MAPTOPRM1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8554398 | 0.90 | SCN1A (0.54) | ALDH1A1MAPTOPRM1MEN1KMT2A | |
| SCHEMBL8549295 | 0.85 | MEN1 (0.64) | ALDH1A1MAPTABCB1PGRCHRM2 | |
| Hydrochloric Acid SCHEMBL8686857 | 0.85 | MEN1 (0.62) | ALDH1A1MAPTABCB1PGRCHRM2 | |
| SCHEMBL8552870 | 0.82 | MAPT (0.71) | ALDH1A1MAPTCHRM2KCNH2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8549701 | 0.81 | MAPT (0.69) | ALDH1A1MAPTCHRM2KCNH2SIGMAR1 | |
| SCHEMBL8553154 | 0.81 | OPRK1 (0.58) | CHRM2OPRM1KCNH2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8549742 | 0.80 | OPRK1 (0.57) | CHRM2OPRM1KCNH2MEN1KMT2A |
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-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |