Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28581620 | 1.00 | NPSR1 (0.44) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL29237789 | 0.83 | SIGMAR1 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL29237792 | 0.83 | SIGMAR1 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL31030937 | 0.83 | SIGMAR1 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL29237731 | 0.80 | TDP2 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL29237733 | 0.80 | TDP2 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL25226475 | 0.78 | NPSR1 (0.46) | NPSR1LMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL31030947 | 0.77 | METAP1 (0.38) | CES1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL29237727 | 0.77 | METAP1 (0.38) | CES1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL29237771 | 0.77 | METAP1 (0.41) | HTTPOLBMAOAMAOB |
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-118239862-A | Chiral monofluorone carbonyl substituted nitrile compound and preparation method and application thereof | 上海应用技术大学 | 2024-06-25 | — | — | CN | disclosed |