Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15910234 | 0.93 | CYP1A2 (0.44) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL9162154 | 0.93 | CYP1A2 (0.44) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL10053547 | 0.89 | CYP2A6 (0.47) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL24283951 | 0.89 | CYP1A2 (0.41) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL28251669 | 0.86 | CYP2A6 (0.44) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL16437959 | 0.82 | CYP1A2 (0.38) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL21903489 | 0.79 | ALDH1A1 (0.38) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL3831129 | 0.78 | ALDH1A1 (0.42) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL1834494 | 0.78 | CYP1A2 (0.56) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL24475325 | 0.78 | CYP2A6 (0.43) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 |
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-105646598-B | Asymmetric Branched polyethylene containing naphthyl substituted and the preparation method and application thereof | 中国科学院化学研究所 | 2018-11-13 | — | — | CN | disclosed |
| CN-105646598-A | Naphthyl-substituted asymmetric acenaphthenediimine nickel complexes, and preparing method and applications thereof | 中国科学院化学研究所 | 2016-06-08 | — | — | CN | disclosed |