Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | NPY1R | P25929 | 15/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4294141 | 1.00 | HRH3 (0.44) | HRH3NPY1RKCNH2CYP3A4CYP2C9 | |
| SCHEMBL4438033 | 1.00 | HRH3 (0.44) | HRH3NPY1RKCNH2CYP3A4CYP2C9 | |
| SCHEMBL4431773 | 1.00 | HRH3 (0.44) | HRH3NPY1RKCNH2CYP3A4CYP2C9 | |
| SCHEMBL6701200 | 1.00 | HRH3 (0.44) | HRH3NPY1RKCNH2CYP3A4CYP2C9 | |
| SCHEMBL4295487 | 0.93 | NPY1R (0.40) | HRH3NPY1R | |
| SCHEMBL4288167 | 0.82 | HRH3 (0.40) | HRH3 | |
| SCHEMBL4288176 | 0.82 | HRH3 (0.40) | HRH3 | |
| SCHEMBL4288170 | 0.82 | HRH3 (0.40) | HRH3 | |
| SCHEMBL4294004 | 0.81 | HRH3 (0.39) | HRH3NPY1R | |
| SCHEMBL4293999 | 0.81 | HRH3 (0.39) | HRH3NPY1R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326863-A2 | OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-16 | — | — | EP | claimed |
| WO-2002024695-A2 | OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-28 | — | — | WO | claimed |
| EP-1326863-A2 | OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002024695-A2 | OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-28 | — | — | WO | disclosed |