Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.36 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.34 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL11520873 | 0.81 | ESR1 (0.60) | ESR1HSD17B1ESR2HSD17B2CYP2A6 | |
| SCHEMBL11522181 | 0.79 | HSD17B1 (0.55) | ESR1HSD17B1AHRESR2HSD17B2 | |
| SCHEMBL9755135 | 0.77 | HSD17B1 (0.70) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| SCHEMBL29983843 | 0.76 | AHR (0.60) | AHRCYP2A6CSNK2A1 | |
| SCHEMBL381602 | 0.76 | AHR (0.60) | AHRCYP2A6CSNK2A1 | |
| SCHEMBL11525349 | 0.75 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| SCHEMBL11521978 | 0.75 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| SCHEMBL119652 | 0.75 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| Water SCHEMBL7043753 | 0.74 | AHR (0.58) | AHRCYP2A6CSNK2A1 | |
| Hydrogen Sulfide SCHEMBL3010970 | 0.73 | HSD17B1 (0.57) | ESR1HSD17B1ESR2HSD17B2PTP4A3 |
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-4174405-A | MITICIDES | UNIROYAL, INC. (US) | 1979-11-13 | — | — | US | disclosed |