Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3199094 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL12116978 | 0.78 | ALDH1A1 (0.54) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL3324851 | 0.77 | ALDH1A1 (0.43) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL20909175 | 0.77 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL12333770 | 0.77 | ALDH1A1 (0.49) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL21603157 | 0.75 | ALDH1A1 (0.54) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL25430128 | 0.75 | EGFR (0.48) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL13076348 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL4125499 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL13035796 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | disclosed |