Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28865651 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTHTTGAACYP3A4 | |
| SCHEMBL28250542 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTHTTGAAPOLB | |
| SCHEMBL21411461 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTHTTGAACYP3A4 | |
| SCHEMBL28501406 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPTHTTGAAPOLB | |
| SCHEMBL4487969 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTHTTGAACYP3A4 | |
| SCHEMBL2484547 | 0.75 | SMN1; SMN2 (0.59) | ALDH1A1HTTGAAPOLBSMN1; SMN2 | |
| SCHEMBL4071532 | 0.75 | ALDH1A1 (0.69) | ALDH1A1HTTPOLBCYP3A4CYP2D6 | |
| SCHEMBL900124 | 0.74 | MAPT (0.70) | ALDH1A1MAPTGAAPOLBCYP3A4 | |
| SCHEMBL9675422 | 0.72 | ALDH1A1 (0.64) | ALDH1A1MAPTHTTGAAPOLB | |
| SCHEMBL28872292 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTGAAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602823-A | As deubiquitinating enzymes（DUB）The spiral shell of inhibitor-condensation pyrrolidin derivatives | 特殊治疗有限公司 | 2018-09-28 | — | — | CN | disclosed |