Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21296984 | 0.91 | AKR1C3 (0.49) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL22815682 | 0.91 | AKR1C3 (0.47) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL22816536 | 0.90 | AKR1C3 (0.47) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL21296988 | 0.90 | NPC1 (0.48) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL29891535 | 0.89 | AKR1C3 (0.47) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL22815906 | 0.88 | ALOX15 (0.47) | AKR1C3MAPTPOLBALOX15L3MBTL1 | |
| SCHEMBL28047047 | 0.87 | CYP19A1 (0.50) | AKR1C3MAPTPOLBALOX15L3MBTL1 | |
| SCHEMBL21296968 | 0.87 | AKR1C3 (0.46) | AKR1C3HCAR3MAPTPOLBALOX15 | |
| SCHEMBL21296920 | 0.86 | NPBWR1 (0.51) | AKR1C3MAPTPOLBALOX15L3MBTL1 | |
| SCHEMBL22815761 | 0.86 | CCR2 (0.50) | AKR1C3MAPTPOLBALOX15L3MBTL1 |
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-105164112-A | Amide compound and preparation method, pharmaceutical composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2015-12-16 | — | — | CN | disclosed |