Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12189258 | 0.83 | LCK (0.55) | MAPK1LCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14207101 | 0.82 | CNR2 (0.45) | CNR2MAPK1LCKCHRNB2CHRNB4 | |
| SCHEMBL12182431 | 0.77 | MAPK1 (0.65) | MAPK1LCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4783898 | 0.76 | CNR2 (0.46) | CNR2ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL30711612 | 0.76 | LCK (0.67) | MAPK1LCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4504096 | 0.76 | LCK (0.67) | MAPK1LCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4733265 | 0.75 | CNR2 (0.46) | CNR2ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL14206939 | 0.75 | CNR2 (0.46) | CNR2ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL50044 | 0.74 | LCK (0.60) | MAPK1LCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9665242 | 0.74 | MAPK1 (0.70) | MAPK1LCKCHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | disclosed |