Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.42 |
| ▸ | CDK2 | P24941 | 4/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | NMBR | P28336 | 1/20 | 0.41 |
| ▸ | GRPR | P30550 | 1/20 | 0.41 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA5A | P35218 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112162 | 0.83 | TAAR1 (0.58) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL22651951 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28363524 | 0.77 | ADRA2B (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL3239427 | 0.77 | JAK1 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL10260862 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL2179770 | 0.76 | CA12 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL20904180 | 0.76 | CA12 (0.55) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL21127229 | 0.75 | ADRA2B (0.50) | KCNH2ADRA2BADRA2CSLC6A2HTR2A | |
| SCHEMBL6840443 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL31211649 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |