Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18545297 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545372 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545367 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545368 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545362 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545375 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545360 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545383 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL18545346 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 | |
| SCHEMBL1532976 | 0.80 | ALDH1A1 (0.77) | ALDH1A1CYP3A4L3MBTL1MMP9MMP8 |
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-2017030685-A1 | ONE-POT SYNTHESIS OF ANHYDROPENTITOL MONO- AND DIETHERS | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |