Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18545383 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18545346 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18545360 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18545302 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18545372 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18545297 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL1532976 | 0.81 | ALDH1A1 (0.77) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18529168 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL18529129 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL13966354 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1TSHRTDP1SMN1; SMN2 |
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 |