Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21774250 | 0.78 | ALDH1A1 (0.41) | ESR1ESR2CNR1HSD17B1HSD17B2 | |
| SCHEMBL23638850 | 0.76 | S100A4 (0.46) | ESR1ESR2EGLN2KMOCYP2A6 | |
| SCHEMBL30598347 | 0.76 | S100A4 (0.46) | ESR1ESR2EGLN2KMOCYP2A6 | |
| SCHEMBL22872109 | 0.75 | ESR2 (0.44) | ESR1ESR2CNR1HSD17B1HSD17B2 | |
| SCHEMBL15805438 | 0.74 | GSK3A (0.35) | CNR1EGLN2KMOBCHEHSD17B1 | |
| SCHEMBL17514492 | 0.73 | ESR1 (0.48) | ESR1ESR2CNR1HSD17B1HSD17B2 | |
| SCHEMBL16574178 | 0.73 | IDO1 (0.41) | ESR1ESR2IDO1HSD17B1HSD17B2 | |
| SCHEMBL25105387 | 0.70 | ESR1 (0.40) | ESR1ESR2EGLN2KMOBCHE | |
| SCHEMBL8974517 | 0.70 | KMO (0.42) | EGLN2KMOS100A4GRM2 | |
| SCHEMBL16561653 | 0.69 | ALDH1A1 (0.36) | ESR1ESR2IDO1HSD17B1HSD17B2 |
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-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |