Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL14070206 | 0.97 | ESR1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL14070337 | 0.97 | SIGMAR1 (0.36) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL14070210 | 0.97 | ESR1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL14070245 | 0.96 | ALDH1A1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL14070334 | 0.96 | ALDH1A1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL24154889 | 0.96 | HSD17B1 (0.41) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL14130488 | 0.96 | ALDH1A1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL14070333 | 0.96 | ALDH1A1 (0.37) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL20748318 | 0.95 | HSD17B1 (0.40) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 | |
| SCHEMBL24919192 | 0.95 | HSD17B1 (0.40) | HSD17B1HSD17B2ESR1ESR2SIGMAR1 |
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-2012148127-A2 | COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산하이메탈(주) (KR) | 2012-11-01 | — | — | WO | disclosed |