Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PTAFR | P25105 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3458409 | 0.85 | ALDH1A1 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL3458346 | 0.84 | DRD2 (0.54) | PTAFRALDH1A1DRD3DRD2 | |
| SCHEMBL3458647 | 0.83 | HTR2A (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL15109569 | 0.82 | HRH3 (0.65) | HRH3CYP3A4ALDH1A1LMNADRD3 | |
| SCHEMBL83163 | 0.81 | HTR1A (0.63) | DRD3DRD2HTR1AHTR2A | |
| SCHEMBL3077208 | 0.81 | FNTA (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL27265961 | 0.80 | SIGMAR1 (0.64) | HRH3 | |
| SCHEMBL6482895 | 0.80 | FNTA (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL6271049 | 0.80 | OPRL1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| Hydrochloric Acid SCHEMBL6164621 | 0.80 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR |
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 |
|---|---|---|---|---|---|---|---|
| US-6451816-B1 | Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression | KLINGE PHARMA GMBH (DE) | 2002-09-17 | — | — | US | disclosed |