Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9274398 | 0.82 | GPR84 (0.36) | ESR1GSTP1KDM4EMAPTKIF11 | |
| SCHEMBL1370057 | 0.81 | KIF11 (0.47) | KDM4EMAPTKIF11ALDH1A1RAB9A | |
| SCHEMBL2204411 | 0.80 | NOTUM (0.43) | KIF11RAB9A | |
| SCHEMBL8078153 | 0.79 | KIF11 (0.43) | KIF11CYP1A2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL2448879 | 0.79 | ESR1 (0.48) | ESR1GSTP1ESR2KDM4EMAPT | |
| SCHEMBL8640563 | 0.78 | KAT6A (0.35) | ESR1GSTP1ESR2KDM4EMAPT | |
| SCHEMBL10448716 | 0.78 | CYP2A6 (0.50) | ESR1GSTP1ESR2KDM4EMAPT | |
| SCHEMBL6987825 | 0.78 | CYP1A2 (0.50) | ESR1GSTP1ESR2KDM4EMAPT | |
| SCHEMBL2015248 | 0.77 | TRPA1 (0.43) | KIF11HSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL1690372 | 0.76 | SMN1; SMN2 (0.34) | KDM4EKIF11CYP1A2SMN1; SMN2PGR |
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-5977201-A | Crosslinked polymer systems having reversible temperature-dependent radiation transmission | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |