Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 4/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PTGIR | P43119 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17383298 | 0.81 | MAPK14 (0.39) | MAPK14CYP1A2NQO1NQO2ALDH1A1 | |
| SCHEMBL19239183 | 0.81 | MEN1 (0.48) | CYP1A2MAOAALDH1A1HSD17B10HPGD | |
| SCHEMBL17383287 | 0.81 | CA12 (0.40) | ALDH1A1HSD17B10FADS1HPGDCYP3A4 | |
| SCHEMBL16657835 | 0.80 | ALDH1A1 (0.44) | MAPK14CYP1A2ALDH1A1HSD17B10FADS1 | |
| SCHEMBL23637514 | 0.80 | ALDH1A1 (0.46) | MAPK14ERBB2CYP1A2FYNMAOA | |
| SCHEMBL18844847 | 0.79 | MAPK14 (0.56) | MAPK14CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL17740778 | 0.79 | MAP3K8 (0.42) | PTGIRGPR3MAPTIDO1EPHX2 | |
| SCHEMBL17742473 | 0.79 | PTGIR (0.50) | MAPK14NQO1NQO2ALDH1A1HSD17B10 | |
| SCHEMBL17382530 | 0.78 | HPRT1 (0.40) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL19801818 | 0.77 | PTGIR (0.49) | MAPK14CYP1A2ALDH1A1HSD17B10FADS1 |
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-2021060723-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-04-01 | — | — | WO | disclosed |