Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 9/20 | 0.46 |
| ▸ | HTR2A | P28223 | 9/20 | 0.46 |
| ▸ | HTR7 | P34969 | 9/20 | 0.46 |
| ▸ | HTR6 | P50406 | 9/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.41 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.41 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2213812 | 0.88 | HSD11B1 (0.53) | HSD11B1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL31623081 | 0.76 | OPRM1 (0.53) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL8328393 | 0.76 | OPRM1 (0.53) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL2212186 | 0.75 | HSD11B1 (0.55) | HSD11B1 | |
| SCHEMBL2315258 | 0.74 | OPRM1 (0.54) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL4979700 | 0.74 | OPRM1 (0.54) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL31623092 | 0.73 | OPRK1 (0.50) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL1700315 | 0.73 | OPRM1 (0.58) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL31623079 | 0.72 | HTR1A (0.77) | HTR1AHTR2AHTR7HTR6OPRM1 | |
| SCHEMBL31623085 | 0.72 | IP6K1 (0.57) | HTR1AHTR2AHTR7HTR6OPRM1 |
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-2125726-A1 | SPIRO-PIPERIDINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077811-A1 | SPIRO-PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-03 | — | — | WO | disclosed |