Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7390764 | 0.87 | ALDH1A1 (0.41) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7387482 | 0.80 | MAPT (0.40) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4853186 | 0.80 | ALDH1A1 (0.45) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7389902 | 0.78 | RECQL (0.43) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7394140 | 0.76 | NLRP3 (0.57) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29485565 | 0.76 | ALDH1A1 (0.47) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7388745 | 0.74 | NLRP3 (0.50) | ALDH1A1CYP1A2CYP2C19NLRP3KDM4E | |
| SCHEMBL7391291 | 0.74 | SCN5A (0.50) | GAANPSR1CASP3CASP7CASP9 | |
| SCHEMBL17281890 | 0.73 | ALDH1A1 (0.49) | GAANPSR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL17285501 | 0.73 | ALDH1A1 (0.38) | GAANPSR1ALDH1A1CYP1A2CYP2C19 |
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-5905068-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1999-05-18 | — | — | US | disclosed |