Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30764792 | 0.78 | HSPB1 (0.55) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL13548691 | 0.78 | HSPB1 (0.55) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL4065173 | 0.78 | HSPB1 (0.55) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL28511295 | 0.76 | HSPB1 (0.56) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL22738578 | 0.74 | RAB9A (0.41) | SMN1; SMN2CYP1A2CYP2C9CYP2C19PARP10 | |
| SCHEMBL16792636 | 0.74 | CYP1A2 (0.50) | HSPB1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL21931317 | 0.72 | SMN1; SMN2 (0.38) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL20521348 | 0.72 | TDP1 (0.50) | MAPTPIN1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL15820225 | 0.71 | HSPB1 (0.47) | HSPB1MAPTPIN1KMT2AMEN1 | |
| SCHEMBL3318989 | 0.70 | SMN1; SMN2 (0.53) | HSPB1MAPTKMT2AMEN1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2931734-B1 | NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2020-12-02 | — | — | EP | disclosed |