Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5898552 | 0.82 | SCN5A (0.48) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL15821917 | 0.80 | CES2 (0.47) | ALDH1A1KIF11 | |
| SCHEMBL1141842 | 0.79 | OGG1 (0.42) | CA1CA2CA5ACA9GAA | |
| SCHEMBL431187 | 0.78 | HTT (0.59) | KMT2AALDH1A1HTTKIF11MAPT | |
| SCHEMBL4856143 | 0.78 | PARP1 (0.50) | PARP1SMN1; SMN2L3MBTL1KIF11 | |
| SCHEMBL16056375 | 0.77 | KMT2A (0.60) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL20707128 | 0.74 | ALDH1A1 (0.44) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL23326602 | 0.74 | CA1 (0.54) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL16183044 | 0.74 | ESR1 (0.40) | SMN1; SMN2KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL16081706 | 0.73 | PARP1 (0.44) | PARP1CA1CA2CA5ACA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689229-A1 | ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF | United States Army Medical Research and Materiel Command (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005046329-A1 | ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF | UNITED STATES MEDICAL RESEARCH AND MATERIEL COMMAND (US) | 2005-05-26 | — | — | WO | disclosed |