Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23555194 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL19677579 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL21331009 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL28724291 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL9528672 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL3394800 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL86088 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL63945 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL41372 | 0.75 | ALDH1A1 (0.82) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL25986593 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2252313-B1 | METHOD TO PREDICT RESPONSE TO PHARMACOLOGICAL CHAPERONE TREATMENT OF DISEASES | AMICUS THERAPEUTICS INC (US) | 2015-04-08 | — | — | EP | disclosed |