Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9035300 | 0.79 | CYP1A2 (0.33) | CYP1A2CYP2D6MAPK1NCF1 | |
| SCHEMBL9035119 | 0.77 | HRH3 (0.39) | MAPK1SMN1; SMN2HRH3GAANCF1 | |
| SCHEMBL9031813 | 0.76 | HRH3 (0.41) | SMN1; SMN2HRH3GAANCF1 | |
| SCHEMBL9034095 | 0.75 | ALOX15 (0.36) | CYP1A2CYP2D6MAPK1SMN1; SMN2ADORA2A | |
| SCHEMBL22858988 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPK1SMN1; SMN2ADORA2A | |
| SCHEMBL9032093 | 0.70 | SMN1; SMN2 (0.33) | SMN1; SMN2ADORA2AADORA1HRH3 | |
| SCHEMBL9032618 | 0.69 | KDM4E (0.45) | CYP1A2SMN1; SMN2HRH3GAANCF1 | |
| SCHEMBL10673019 | 0.65 | CYP1A2 (0.39) | CYP1A2CYP2D6MAPK1SMN1; SMN2HRH3 | |
| SCHEMBL8697208 | 0.65 | ALDH1A1 (0.38) | CYP1A2CYP2D6MAPK1SMN1; SMN2ADORA2A | |
| SCHEMBL8703126 | 0.63 | HRH3 (0.43) | CYP2D6SMN1; SMN2HRH3NCF1 |
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-0696586-A1 | SERINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |