Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL13741426 | 0.92 | HPGD (0.54) | ALDH1A1GAAEPHX1HPGDDUSP3 | |
| SCHEMBL8046130 | 0.90 | ALDH1A1 (0.50) | ALDH1A1GAAEPHX1HPGDDUSP3 | |
| SCHEMBL7949267 | 0.86 | SIGMAR1 (0.49) | ALDH1A1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL22856216 | 0.86 | SIGMAR1 (0.49) | ALDH1A1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL23423425 | 0.85 | ALDH1A1 (0.48) | ALDH1A1GAAEPHX1HPGDDUSP3 | |
| SCHEMBL11934824 | 0.84 | HPGD (0.47) | ALDH1A1GAAEPHX1HPGDDUSP3 | |
| SCHEMBL13438702 | 0.84 | HPGD (0.47) | ALDH1A1GAAEPHX1HPGDDUSP3 | |
| SCHEMBL8031282 | 0.82 | GNAI3 (0.46) | ALDH1A1KDM4E | |
| SCHEMBL2444668 | 0.79 | GNAI3 (0.50) | ALDH1A1HPGDDUSP3PKMPAOX | |
| SCHEMBL721355 | 0.78 | PAOX (0.64) | ALDH1A1GAAEPHX1HPGDDUSP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7985882-B1 | Compositions for reductive aminations utilizing supported tricarboxyborohydride reagents and methods of using the same | BIOTAGE AB (SE) | 2011-07-26 | — | — | US | disclosed |
| US-7985882-B1 | Compositions for reductive aminations utilizing supported tricarboxyborohydride reagents and methods of using the same | BIOTAGE AB (SE) | 2011-07-26 | — | — | US | disclosed |
| WO-2009071707-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |