Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABL2 | P42684 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10413690 | 0.78 | ALOX5 (0.42) | TSHRALOX5CHEK1ESR2 | |
| SCHEMBL1029061 | 0.75 | TSHR (0.73) | TSHRALOX5CA12CA9HSD17B1 | |
| SCHEMBL4281937 | 0.73 | HSD17B1 (0.48) | TSHRHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL4280216 | 0.73 | HSD17B1 (0.44) | TSHRCA12CA9HSD17B1HSD17B2 | |
| SCHEMBL4289202 | 0.71 | TSHR (0.50) | TSHRALOX5CA12CA9HSD17B1 | |
| SCHEMBL16719910 | 0.71 | ALOX5 (0.55) | TSHRALOX5EGFRPIK3CAESR2 | |
| SCHEMBL9769410 | 0.71 | HSD17B1 (0.45) | TSHRCA12CA9HSD17B1HSD17B2 | |
| SCHEMBL4289108 | 0.71 | HSD17B1 (0.41) | TSHRHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL16720511 | 0.70 | KDM1A (0.43) | CA12HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL21296916 | 0.69 | HSD17B1 (0.62) | TSHRALOX5CA12CA9HSD17B1 |
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-2397462-A2 | Compounds, compositions and methods of treatment for heart failure | Cytokinetics, Inc. (US) | 2011-12-21 | — | — | EP | claimed |