Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOD1 | P00441 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849430 | 0.81 | TSHR (0.50) | SOD1CYP19A1QPCTKDM4EALDH1A1 | |
| SCHEMBL9849511 | 0.74 | TLR8 (0.57) | SOD1CYP19A1QPCTTSHR | |
| SCHEMBL28803051 | 0.74 | CYP19A1 (0.49) | CYP19A1 | |
| SCHEMBL11247886 | 0.74 | POLB (0.68) | SOD1CYP19A1POLBQPCTKDM4E | |
| SCHEMBL9849395 | 0.74 | CYP19A1 (0.52) | SOD1CYP19A1POLBALDH1A1TSHR | |
| SCHEMBL9849295 | 0.72 | TSHR (0.55) | CYP19A1ALDH1A1TSHR | |
| SCHEMBL14829642 | 0.72 | CYP3A4 (0.55) | CYP19A1 | |
| SCHEMBL27850373 | 0.72 | TLR8 (0.51) | — | |
| SCHEMBL28742405 | 0.71 | CYP19A1 (0.68) | SOD1CYP19A1 | |
| SCHEMBL9849881 | 0.71 | GAA (0.55) | CYP19A1KDM4EALDH1A1TSHR |
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 |