Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17673257 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL19518324 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17680666 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17680841 | 0.80 | CYP1A2 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17680858 | 0.75 | KMT2A (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17680663 | 0.72 | PIM1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17673169 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL19518273 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL31023042 | 0.72 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL11023973 | 0.71 | TDP1 (0.43) | ALDH1A1MAPTHCAR3SMN1; SMN2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016055028-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| US-20150147457-A1 | ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS | BIOJIVA LLC | 2015-05-28 | — | — | US | disclosed |