Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18151909 | 0.80 | CA1 (0.44) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL25933615 | 0.73 | DPP4 (0.48) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL4408604 | 0.72 | CA1 (0.66) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6533202 | 0.68 | CA1 (0.56) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3297654 | 0.68 | CA1 (0.57) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22394682 | 0.68 | DPP4 (0.39) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL22394632 | 0.68 | MAPT (0.41) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL4630972 | 0.68 | EGFR (0.41) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL472487 | 0.67 | CA1 (0.57) | DPP4CA12CA1CA2CA9 | |
| SCHEMBL11901631 | 0.67 | SLC6A2 (0.51) | CA12CA1CA2CA9CA14 |
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-2015062555-A1 | COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR | 天津键凯科技有限公司 | 2015-05-07 | — | — | WO | disclosed |