Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 6/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL3254219 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL9143198 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL1273659 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL3428301 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL5781814 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL849892 | 0.97 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Pentadecane SCHEMBL30878097 | 0.94 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Heptane SCHEMBL8984142 | 0.94 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Octane SCHEMBL28055318 | 0.94 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Decane SCHEMBL27650522 | 0.94 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108037212-A | A kind of detection method for treating lung cancer extract | 济南昊雨青田医药技术有限公司 | 2018-05-15 | — | — | CN | claimed |
| CN-108037235-A | A kind of detection method of hypoglycemic extract | 济南昊雨青田医药技术有限公司 | 2018-05-15 | — | — | CN | claimed |
| CN-108037212-A | A kind of detection method for treating lung cancer extract | 济南昊雨青田医药技术有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-108037235-A | A kind of detection method of hypoglycemic extract | 济南昊雨青田医药技术有限公司 | 2018-05-15 | — | — | CN | disclosed |