Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22911453 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL14072955 | 0.81 | — | — | |
| SCHEMBL1688126 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL5933547 | 0.75 | — | — | |
| SCHEMBL15314498 | 0.73 | — | — | |
| SCHEMBL14510005 | 0.73 | — | — | |
| SCHEMBL15314499 | 0.71 | — | — | |
| SCHEMBL24259885 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL3162137 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL271024 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9983200-B2 | Compositions and methods for predicting age of onset of a lysosomal storage disease or a disease associated with a lysosomal defect | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2018-05-29 | — | — | US | disclosed |