Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.56 |
| ▸ | HPGD | P15428 | 7/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28182849 | 0.91 | ALDH1A1 (0.65) | CYP2C19ALDH1A1TP53KDM4ECYP2D6 | |
| SCHEMBL28382305 | 0.84 | CYP1A2 (0.54) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 | |
| SCHEMBL29169304 | 0.84 | CYP2C19 (0.67) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 | |
| SCHEMBL29129663 | 0.80 | CYP2C19 (0.68) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 | |
| SCHEMBL27883079 | 0.77 | ALDH1A1 (0.65) | CYP2C19ALDH1A1TP53KDM4ECYP2D6 | |
| SCHEMBL7127255 | 0.77 | KDM4E (0.73) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 | |
| SCHEMBL312255 | 0.75 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 | |
| SCHEMBL28351240 | 0.75 | ALDH1A1 (0.60) | CYP2C19ALDH1A1TP53KDM4ECYP2D6 | |
| SCHEMBL4648917 | 0.73 | KDM4E (1.00) | CYP2C19ALDH1A1TP53KDM4ECYP2D6 | |
| SCHEMBL6614409 | 0.72 | CYP1A2 (0.69) | AKR1C3AKR1C2AKR1C1CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107467712-B | A kind of tobacco sauce additive and its application with antibacterial activity | 云南中烟工业有限责任公司 | 2019-05-21 | — | — | CN | claimed |
| CN-107467712-B | A kind of tobacco sauce additive and its application with antibacterial activity | 云南中烟工业有限责任公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-107467712-B | A kind of tobacco sauce additive and its application with antibacterial activity | 云南中烟工业有限责任公司 | 2019-05-21 | — | — | CN | disclosed |