Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.43 |
| ▸ | GSK3B | P49841 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | NEK4 | P51957 | 3/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.42 |
| ▸ | PRKG2 | Q13237 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2240935 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9KDM4EMPO | |
| SCHEMBL2364467 | 0.81 | P2RX7 (0.54) | CYP1A2CYP2C19CYP2C9KDM4EGAA | |
| SCHEMBL2335746 | 0.78 | CA2 (0.51) | EPHX2CA2CA1 | |
| SCHEMBL1649543 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2C9KDM4EMPO | |
| SCHEMBL2364113 | 0.76 | LONP1 (0.46) | KDM4EHTTKMT2A | |
| SCHEMBL23303777 | 0.76 | CA2 (0.62) | CYP1A2CYP2C19CYP2C9KDM4ECA2 | |
| SCHEMBL2364398 | 0.75 | HPGD (0.54) | CYP1A2CYP2C19CYP2C9KDM4ECYP3A4 | |
| SCHEMBL2364158 | 0.73 | HSPA9 (0.42) | ALDH1A1 | |
| SCHEMBL7825903 | 0.73 | CYP1A2 (0.88) | CYP1A2CYP2C19CYP2C9KDM4EEPHX2 | |
| SCHEMBL2363957 | 0.72 | S1PR3 (0.47) | ALDH1A1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011095218-A1 | TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY | POLYPHOR AG (CH) | 2011-08-11 | — | — | WO | disclosed |