Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SOD1 | P00441 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849395 | 0.87 | CYP19A1 (0.52) | CYP19A1TBXAS1TSHRGAAPOLB | |
| SCHEMBL9849541 | 0.84 | CYP19A1 (0.51) | CYP19A1TBXAS1TSHRGAAPOLB | |
| SCHEMBL11247886 | 0.79 | POLB (0.68) | CYP19A1TBXAS1GAAPOLBSOD1 | |
| SCHEMBL9849430 | 0.75 | TSHR (0.50) | CYP19A1TBXAS1TSHRGAAALDH1A1 | |
| SCHEMBL9849295 | 0.74 | TSHR (0.55) | CYP19A1TSHRGAAALDH1A1GSK3A | |
| SCHEMBL9849511 | 0.73 | TLR8 (0.57) | CYP19A1TBXAS1TSHRSOD1 | |
| SCHEMBL28158393 | 0.73 | KDM4E (0.53) | TSHRGAAPOLBALDH1A1HSD17B10 | |
| SCHEMBL9849881 | 0.72 | GAA (0.55) | CYP19A1TBXAS1TSHRGAAALDH1A1 | |
| SCHEMBL9849448 | 0.71 | CYP19A1 (0.55) | CYP19A1TBXAS1 | |
| SCHEMBL3302983 | 0.71 | KDM4E (0.49) | TSHRGAAPOLBALDH1A1ALOX15 |
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-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |