Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.49 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ARG1 | P05089 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3620882 | 0.85 | CYP1A2 (0.53) | GRM2GRM3CYP1A2MEN1ALDH1A1 | |
| SCHEMBL16328206 | 0.85 | GRM2 (0.41) | GRM2GRM3CYP1A2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4798850 | 0.84 | CYP1A2 (0.52) | GRM2GRM3CYP1A2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4798856 | 0.84 | CYP1A2 (0.52) | GRM2GRM3CYP1A2MEN1ALDH1A1 | |
| SCHEMBL3102119 | 0.83 | GRM2 (0.50) | GRM2GRM3ARG1ARG2CYP2D6 | |
| SCHEMBL3102113 | 0.83 | GRM2 (0.50) | GRM2GRM3ARG1ARG2CYP2D6 | |
| SCHEMBL14923298 | 0.81 | GRM2 (0.39) | GRM2GRM3CYP1A2KMT2ACYP2D6 | |
| SCHEMBL12504986 | 0.79 | GRM2 (0.45) | GRM2GRM3CYP1A2KMT2ACYP2D6 | |
| SCHEMBL3614328 | 0.77 | GRM2 (0.51) | GRM2GRM3CYP1A2THRBARG1 | |
| SCHEMBL3614325 | 0.77 | GRM2 (0.51) | GRM2GRM3CYP1A2THRBARG1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114729006-A | Cyclic peptide compounds having Kras inhibitory activity | 中外制药株式会社 | 2022-07-08 | — | — | CN | disclosed |
| WO-2022129630-A1 | G PROTEIN PEPTIDOMIMETICS | VRIJE UNIVERSITEIT BRUSSEL (BE) | 2022-06-23 | — | — | WO | disclosed |
| EP-4015529-A1 | G PROTEIN PEPTIDOMIMETICS | Vrije Universiteit Brussel (BE) | 2022-06-22 | — | — | EP | disclosed |