Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14242300 | 0.96 | CYP2A6 (0.53) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL13367588 | 0.93 | MAOA (0.43) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL17702100 | 0.91 | CYP1A2 (0.42) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL13367607 | 0.91 | CYP2A6 (0.50) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL14070177 | 0.91 | ALDH1A1 (0.45) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL13367566 | 0.90 | CYP2A6 (0.46) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL16627123 | 0.90 | HTT (0.46) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL18134984 | 0.90 | HTT (0.46) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL18134990 | 0.88 | HTT (0.44) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL18134986 | 0.88 | HTT (0.44) | CYP2A6TDP1CYP1A2ALDH1A1HSD17B10 |
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 |