Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7511715 | 0.89 | NPSR1 (0.41) | NPSR1HPGDTSHRALDH1A1GAA | |
| SCHEMBL7989987 | 0.89 | NPSR1 (0.46) | NPSR1HPGDSMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7987648 | 0.89 | HSP90AA1 (0.39) | SMN1; SMN2ALDH1A1GAAHSP90AA1KDM4E | |
| SCHEMBL7987303 | 0.86 | HSP90AA1 (0.43) | SMN1; SMN2ALDH1A1GAAHSP90AA1KDM4E | |
| SCHEMBL7447822 | 0.85 | HSP90AA1 (0.44) | GAAHSP90AA1MAPK1KDM4E | |
| SCHEMBL7450924 | 0.85 | NPSR1 (0.39) | NPSR1HPGDTSHRALDH1A1GAA | |
| SCHEMBL7989824 | 0.81 | ALDH1A1 (0.39) | NPSR1ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL7989289 | 0.81 | CA1 (0.42) | TSHRALDH1A1GAAHSP90AA1MAPK1 | |
| SCHEMBL7989311 | 0.80 | CA1 (0.44) | TSHRALDH1A1GAASLC1A1HSP90AA1 | |
| SCHEMBL7517976 | 0.80 | ALDH1A1 (0.45) | HPGDSMN1; SMN2TSHRALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1175385-A1 | D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS | Pharmacor Inc. (CA) | 2002-01-30 | — | — | EP | disclosed |
| US-6313177-B1 | AS ANTIVIRAL AGENTS | PHARMACOR INC. (CA) | 2001-11-06 | — | — | US | disclosed |
| WO-2000066524-A1 | D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS | PHARMACOR INC. (CA) | 2000-11-09 | — | — | WO | disclosed |