Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 6/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 SCHEMBL9143198 | 1.00 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL3254219 | 1.00 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL1273659 | 1.00 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL849892 | 1.00 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL5781814 | 1.00 | ALDH1A1 (0.62) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Hexane SCHEMBL28216413 | 0.97 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Pentadecane SCHEMBL30878097 | 0.97 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Heptane SCHEMBL8984142 | 0.97 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Decane SCHEMBL27650522 | 0.97 | ALDH1A1 (0.59) | ALDH1A1EPHX1FAAHCES2CES1 | |
| Octane SCHEMBL28055318 | 0.97 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010036928-A1 | PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-01 | — | — | WO | disclosed |