Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL19607693 | 0.73 | CYP11B2 (0.43) | CYP11B2MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL20011085 | 0.73 | GDA (0.32) | — | |
| SCHEMBL21861319 | 0.70 | BRD4 (0.35) | BRD4 | |
| SCHEMBL15931519 | 0.66 | SMN1; SMN2 (0.55) | BRD4 | |
| SCHEMBL17314818 | 0.66 | SMN1; SMN2 (0.55) | BRD4 | |
| SCHEMBL28841106 | 0.61 | TRPC5 (0.38) | CYP11B2MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL21316872 | 0.61 | CYP11B2 (0.42) | CYP11B2MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL17682306 | 0.61 | CYP11B2 (0.36) | CYP11B2MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL17682176 | 0.61 | CYP11B2 (0.36) | CYP11B2MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL21861610 | 0.61 | HPGD (0.35) | — |
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-2951180-B1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |