Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 14/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 14/20 | 0.38 |
| ▸ | RELA | Q04206 | 14/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4905935 | 0.89 | NFKB1 (0.40) | NFKB1NFKB2RELAALDH1A1CYP2A6 | |
| SCHEMBL29910203 | 0.82 | NFKB1 (0.40) | NFKB1NFKB2RELAALDH1A1CYP2A6 | |
| SCHEMBL1971305 | 0.82 | NFKB1 (0.40) | NFKB1NFKB2RELAALDH1A1CYP2A6 | |
| SCHEMBL6157146 | 0.79 | NFKB1 (0.38) | NFKB1NFKB2RELAALDH1A1CYP2A6 | |
| SCHEMBL4721917 | 0.69 | NISCH (0.36) | NFKB1NFKB2RELAALDH1A1TSHR | |
| SCHEMBL30522627 | 0.67 | KDM4E (0.60) | NFKB1NFKB2RELAALDH1A1HSD17B10 | |
| SCHEMBL8313602 | 0.67 | KDM4E (0.60) | NFKB1NFKB2RELAALDH1A1HSD17B10 | |
| SCHEMBL3332494 | 0.67 | HPRT1 (0.50) | NFKB1NFKB2RELAALDH1A1CYP2A6 | |
| Phenanthrene SCHEMBL10399979 | 0.66 | TSHR (0.65) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL1172393 | 0.66 | TSHR (0.44) | CYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947300-B | Alkaloid amino ester derivative and pharmaceutical composition thereof | 奇斯药制品公司 | 2016-09-21 | — | — | CN | disclosed |