Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22106546 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL11527273 | 0.87 | CYP3A4 (0.56) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL22106309 | 0.85 | GAA (0.44) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL1326460 | 0.85 | CYP1A1 (0.48) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL15120000 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDCA12CA1 | |
| SCHEMBL12123547 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| Iodide SCHEMBL1327464 | 0.82 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL26201031 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HPGDFFAR4PTPN1 | |
| SCHEMBL17178258 | 0.82 | CYP1A1 (0.44) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD | |
| SCHEMBL2633660 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A1CYP1B1HPGD |
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-2011118845-A1 | POLYESTER RESIN, AND OPTICAL MATERIALS, FILMS AND IMAGE DISPLAY DEVICES USING THE SAME | FUJIFILM CORPORATION (JP) | 2011-09-29 | — | — | WO | disclosed |