Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 12/20 | 0.44 |
| ▸ | ESR1 | P03372 | 11/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15331238 | 1.00 | ESR2 (0.44) | ESR2ESR1ABL1ABCB1BCR | |
| SCHEMBL15331942 | 0.85 | ALDH1A1 (0.41) | ESR2ESR1 | |
| SCHEMBL29957264 | 0.84 | CYP11B1 (0.41) | ESR2ESR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15332414 | 0.83 | HSD17B1 (0.42) | ESR2ESR1HSD17B1CYP3A4CYP1A2 | |
| SCHEMBL2556342 | 0.79 | GSTP1 (0.46) | HSD17B1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2558891 | 0.78 | ESR1 (0.45) | ESR2ESR1HSD17B1CYP3A4HSD17B2 | |
| SCHEMBL2555372 | 0.75 | TYMP (0.41) | CYP1A2CYP2C9CYP2C19CYP11B1CYP11B2 | |
| SCHEMBL2562158 | 0.75 | NPBWR1 (0.38) | — | |
| SCHEMBL2552851 | 0.75 | TYMP (0.41) | — | |
| SCHEMBL2557542 | 0.74 | CYP1A1 (0.48) | ABL1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |