Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4291006 | 0.82 | DRD2 (0.44) | CYP3A4KCNH2ALDH1A1MEN1CYP2D6 | |
| SCHEMBL13663228 | 0.82 | DRD2 (0.44) | CYP3A4KCNH2ALDH1A1MEN1CYP2D6 | |
| SCHEMBL13660587 | 0.82 | DRD2 (0.44) | CYP3A4KCNH2ALDH1A1MEN1CYP2D6 | |
| SCHEMBL13660586 | 0.82 | DRD2 (0.44) | CYP3A4KCNH2ALDH1A1MEN1CYP2D6 | |
| SCHEMBL4295509 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H | |
| SCHEMBL4296909 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H | |
| SCHEMBL4296903 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H | |
| SCHEMBL7022621 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H | |
| SCHEMBL4295507 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H | |
| SCHEMBL4295503 | 0.82 | HRH3 (0.52) | HRH3HPGDMEN1KMT2ALTA4H |
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-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 |