Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | QPCT | Q16769 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | SOD1 | P00441 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849404 | 0.82 | NOS1 (0.47) | CYP19A1QPCTTBXAS1 | |
| SCHEMBL9849597 | 0.81 | SOD1 (0.48) | TSHRALDH1A1KDM4ECYP19A1QPCT | |
| SCHEMBL8907365 | 0.79 | ACHE (0.58) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8912375 | 0.79 | ACHE (0.58) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8907361 | 0.78 | ACHE (0.56) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8907350 | 0.78 | ACHE (0.56) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8908674 | 0.78 | ACHE (0.56) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8908598 | 0.78 | ACHE (0.56) | TSHRGAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL9849295 | 0.77 | TSHR (0.55) | TSHRGAAALDH1A1GSK3AGSK3B | |
| Water SCHEMBL5569079 | 0.76 | ACHE (0.54) | TSHRGAAALDH1A1HSD17B10KDM4E |
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 |