Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 5/20 | 0.47 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10179733 | 1.00 | SLC6A1 (0.47) | SLC6A1SLC6A11ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL25340721 | 0.89 | NOTUM (0.43) | SLC6A1CYP1A2 | |
| SCHEMBL3284922 | 0.89 | NOTUM (0.43) | SLC6A1CYP1A2 | |
| SCHEMBL17814311 | 0.86 | SMN1; SMN2 (0.40) | SLC6A1SLC6A11ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL28446461 | 0.83 | BCHE (0.52) | ALDH1A1HSD17B10LMNA | |
| SCHEMBL13605164 | 0.83 | SLC6A11 (0.47) | SLC6A1SLC6A11ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL23557995 | 0.83 | SLC6A11 (0.47) | SLC6A1SLC6A11ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL20161465 | 0.81 | S1PR5 (0.40) | — | |
| SCHEMBL3212052 | 0.78 | LMNA (0.41) | CYP2C9TSHRCYP2C19LMNA | |
| SCHEMBL10180993 | 0.77 | SLC6A1 (0.52) | SLC6A1SLC6A11ALDH1A1CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012101063-A1 | N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101064-A1 | N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| EP-2473499-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis AG (CH) | 2012-07-11 | — | — | EP | disclosed |