Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849636 | 0.96 | TSHR (0.54) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL9849881 | 0.86 | GAA (0.55) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL9849573 | 0.83 | KMT2A (0.49) | TSHRALDH1A1MAPK1ALOX15HSD17B10 | |
| SCHEMBL9849547 | 0.82 | QPCT (0.50) | TSHRALDH1A1GSK3BMAPK1CYP19A1 | |
| SCHEMBL9849555 | 0.80 | ALDH1A1 (0.43) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL9849428 | 0.78 | KDM4E (0.42) | TLR8CYP19A1 | |
| SCHEMBL9849395 | 0.77 | CYP19A1 (0.52) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL9849331 | 0.77 | QPCT (0.45) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL9849430 | 0.77 | TSHR (0.50) | TSHRALDH1A1GAAGSK3AGSK3B | |
| SCHEMBL16836321 | 0.76 | TLR8 (0.74) | TLR8 |
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 |