Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 3/20 | 0.50 |
| ▸ | ACE | P12821 | 2/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | GNPAT | O15228 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26872737 | 0.85 | NPSR1 (0.51) | NPSR1MMEACEACE2SCN9A | |
| SCHEMBL17468460 | 0.84 | NPSR1 (0.69) | NPSR1MMEACEACE2MMP1 | |
| SCHEMBL12863002 | 0.84 | NPSR1 (0.69) | NPSR1MMEACEACE2MMP1 | |
| SCHEMBL244885 | 0.84 | NPSR1 (0.69) | NPSR1MMEACEACE2MMP1 | |
| SCHEMBL22961930 | 0.82 | CTSS (0.65) | ACECTSSCTSLCTSKCTSB | |
| SCHEMBL13611914 | 0.82 | CTSL (0.54) | NPSR1MMEACEACE2SCN9A | |
| SCHEMBL14264746 | 0.81 | MMP9 (0.68) | NPSR1CTSSCTSLCTSBMMP9 | |
| SCHEMBL13886186 | 0.81 | NPSR1 (0.54) | NPSR1MMEACEACE2SCN9A | |
| SCHEMBL684246 | 0.80 | NPSR1 (0.55) | NPSR1MMEACEACE2SCN9A | |
| SCHEMBL683352 | 0.80 | NPSR1 (0.55) | NPSR1MMEACEACE2SCN9A |
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-116178486-A | Asymmetric hydrogenation synthesis method and application of non-natural polypeptide | 西南大学 | 2023-05-30 | — | — | CN | disclosed |