Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ARG1 | P05089 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3898562 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3902694 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL6672006 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL16153149 | 0.86 | KCNA3 (0.39) | KCNA3ALDH1A1GAAGRM2GRM3 | |
| SCHEMBL1250698 | 0.81 | ALDH1A1 (0.36) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1250701 | 0.81 | ALDH1A1 (0.36) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1250695 | 0.81 | ALDH1A1 (0.36) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1250510 | 0.79 | CYP2D6 (0.40) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1250512 | 0.79 | CYP2D6 (0.40) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1250507 | 0.79 | CYP2D6 (0.40) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458747-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF SERINE PROTEASES | Polyphor Ltd. (CH) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003054000-A1 | TEMPLATE-FIXED PEPTIDOMIMETICSAS INHIBITORS OF SERINE PROTEASES | POLYPHOR LTD. (CH) | 2003-07-03 | — | — | WO | disclosed |