Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL17207329 | 0.85 | ALDH1A1 (0.34) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL17383065 | 0.84 | CYP1B1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL14951318 | 0.82 | PTPN1 (0.46) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL17383075 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL19656489 | 0.79 | IDO1 (0.39) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL17382483 | 0.76 | HSD17B10 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL11933059 | 0.76 | PSMB8 (0.43) | ALDH1A1AHRIDO1TDO2PSMB8 | |
| SCHEMBL24731794 | 0.76 | LIMK1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL17207905 | 0.76 | GABRP (0.43) | ALDH1A1HSD17B10AHRDYRK1A | |
| SCHEMBL17382916 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 |
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-2019151697-A1 | COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME | 덕산네오룩스 주식회사 | 2019-08-08 | — | — | WO | disclosed |