Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2498868 | 1.00 | CYP2C19 (0.42) | CYP2C19HIF1AKEAP1NFE2L2POLB | |
| SCHEMBL2504417 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1APOLBCHRM3KIF11 | |
| SCHEMBL2495216 | 0.94 | CYP2C19 (0.45) | CYP2C19HIF1APOLBCHRM3KIF11 | |
| SCHEMBL8922034 | 0.82 | CYP2C19 (0.51) | CYP2C19HIF1AKEAP1NFE2L2POLB | |
| SCHEMBL8747371 | 0.77 | CYP2C19 (0.52) | CYP2C19HIF1AKIF11HSD17B1HSD17B2 | |
| SCHEMBL17494751 | 0.75 | KIF11 (0.38) | HIF1AKEAP1NFE2L2POLBCHRM3 | |
| SCHEMBL8402081 | 0.74 | RAB9A (0.42) | CYP2C19HIF1AKEAP1NFE2L2CHRM3 | |
| SCHEMBL2382078 | 0.72 | POLB (0.43) | KEAP1NFE2L2POLBCHRM3OPRD1 | |
| SCHEMBL25689812 | 0.72 | POLB (0.43) | KEAP1NFE2L2POLBHSD17B1HSD17B2 | |
| Resorcinol SCHEMBL8654412 | 0.71 | POLB (0.49) | CYP2C19HIF1APOLBOPRD1OPRM1 |
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-8030354-B2 | 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes | AMGEN INC. (US) | 2011-10-04 | — | — | US | disclosed |