Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 6/20 | 1.00 |
| ▸ | TSHR | P16473 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL49861 | 1.00 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL29736830 | 1.00 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL2810486 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL31498531 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL28536959 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL2810487 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL10684038 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL9614419 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| Methane SCHEMBL16097895 | 0.97 | CYP2A6 (0.95) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL28870953 | 0.95 | CYP2A6 (0.91) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438164-A | The device and method for extracting acenaphthene and acenaphthylene in LCO double ring arene | 南京师范大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-104073202-A | Releasable adhesive composition, releasable material, and electronic component | CHI MEI CORP | 2014-10-01 | — | — | CN | disclosed |