Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555076 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HSD11B1MAPT | |
| SCHEMBL15330833 | 0.89 | MAPT (0.38) | CYP1A2CYP2C9CYP2C19HSD11B1MAPT | |
| SCHEMBL15331861 | 0.87 | SMN1; SMN2 (0.35) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL2562457 | 0.84 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL15330811 | 0.83 | HSD11B1 (0.35) | HSD11B1CCNE2CCNE1CDK2ALDH1A1 | |
| SCHEMBL15330823 | 0.83 | HSD11B1 (0.33) | HSD11B1CCNE2CCNE1CDK2MEN1 | |
| SCHEMBL2558228 | 0.81 | KMT2A (0.40) | CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL2557324 | 0.80 | RAB9A (0.41) | MAPTSMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL2556602 | 0.80 | KCNN4 (0.40) | MAPTKMT2A | |
| SCHEMBL15330348 | 0.80 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |