Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10638645 | 0.91 | ESR2 (0.44) | ESR1ESR2KIF11OPRM1DRD2 | |
| SCHEMBL10639109 | 0.90 | CNR1 (0.43) | ESR1ESR2KIF11OPRM1DRD2 | |
| SCHEMBL2399948 | 0.86 | ESR1 (0.42) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL13815889 | 0.86 | ESR1 (0.42) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL5648833 | 0.85 | CNR1 (0.43) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL10515022 | 0.79 | ESR1 (0.50) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL5645169 | 0.78 | CNR1 (0.51) | ESR1ESR2KIF11 | |
| SCHEMBL25571330 | 0.78 | HIF1A (0.41) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL10538090 | 0.78 | ESR1 (0.59) | ESR1ESR2KIF11AR | |
| SCHEMBL29763582 | 0.78 | ESR1 (0.41) | ESR1ESR2KIF11ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013034567-A2 | SURFACTANTS | LAFARGE (FR) | 2013-03-14 | — | — | WO | disclosed |