Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14520997 | 0.90 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL23658857 | 0.89 | PDK2 (0.46) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL15790392 | 0.87 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL18154478 | 0.86 | HPGD (0.44) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL25740800 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL25740809 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL15222375 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL30353955 | 0.84 | PDK2 (0.54) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL17740522 | 0.84 | PDK2 (0.54) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL22891731 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 |
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-2016175533-A2 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2016-11-03 | — | — | WO | disclosed |