Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2656803 | 0.87 | AURKA (0.50) | AURKATPX2AKR1C2AKR1C1MMP3 | |
| SCHEMBL2654823 | 0.85 | NQO2 (0.49) | HSD17B1HSD17B2ESR1ESR2PTPN1 | |
| SCHEMBL14506126 | 0.72 | CA2 (0.54) | HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL10041706 | 0.72 | CA2 (0.54) | HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL14506139 | 0.72 | CA2 (0.47) | CYP11B1CYP11B2ESR1ESR2PTPN1 | |
| SCHEMBL25040047 | 0.72 | CA2 (0.47) | CYP11B1CYP11B2ESR1ESR2PTPN1 | |
| SCHEMBL31538684 | 0.72 | CA2 (0.47) | CYP11B1CYP11B2ESR1ESR2PTPN1 | |
| SCHEMBL12107241 | 0.71 | CA1 (0.47) | AKR1C2PTPN1 | |
| SCHEMBL15998741 | 0.71 | HTT (0.39) | PTPN1PTGER4 | |
| SCHEMBL7154183 | 0.70 | CISD1 (0.51) | PTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863755-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | Merck & Co., Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102067-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | MERCK & CO., INC. (US) | 2006-09-28 | — | — | WO | disclosed |