Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 12/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23844841 | 0.77 | TSHR (0.40) | ALDH1A1HPGDTSHRHTTKDM4E | |
| SCHEMBL13100936 | 0.74 | PLAA (0.38) | ALDH1A1CYP1A2 | |
| SCHEMBL12391736 | 0.74 | ALDH1A1 (0.62) | ALDH1A1 | |
| SCHEMBL2876964 | 0.74 | — | — | |
| SCHEMBL13101056 | 0.73 | FDPS (0.44) | LMNATSHRHTTHDAC1HDAC6 | |
| SCHEMBL27849784 | 0.71 | ALDH1A1 (0.32) | ALDH1A1HPGDMAPK1LMNAMAPT | |
| SCHEMBL20665996 | 0.71 | GRIN2B (0.37) | ALDH1A1MAPTKDM4E | |
| SCHEMBL20665992 | 0.70 | PSMB5 (0.52) | LMNATSHRKDM4E | |
| SCHEMBL7324404 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPK1LMNAMAPT | |
| SCHEMBL463115 | 0.69 | — | — |
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-110477439-A | For heating the sugar ester essence and reconstituted tobacoo and the cigarette that do not burn of the cigarette that do not burn | CHINA TOBACCO HENAN IND CO LTD | 2019-11-22 | — | — | CN | disclosed |