Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 7/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30397636 | 0.87 | L3MBTL1 (0.62) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL38658667 | 0.87 | L3MBTL1 (0.62) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL7241637 | 0.84 | OPRK1 (0.55) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL7238484 | 0.84 | CHIA (0.66) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL16105029 | 0.83 | OPRK1 (0.61) | OPRK1HRH3MAPTLMNACYP1A2 | |
| SCHEMBL6965268 | 0.83 | OPRK1 (0.56) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL398925 | 0.82 | KMT2A (0.65) | MAPTL3MBTL1LMNAKMT2ACHIA | |
| SCHEMBL21905876 | 0.81 | HRH3 (0.54) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL7242883 | 0.81 | MAPT (0.59) | OPRK1HRH3MAPTL3MBTL1LMNA | |
| SCHEMBL16100517 | 0.80 | CHIA (0.60) | OPRK1HRH3MAPTL3MBTL1LMNA |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |