Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.59 |
| ▸ | REN | P00797 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5246330 | 1.00 | SMPD1 (0.59) | SMPD1RENTP53MEN1KMT2A | |
| SCHEMBL5245504 | 0.86 | TAS1R3 (0.53) | SMPD1RENPDE4DPDE4APDE4B | |
| SCHEMBL13753814 | 0.86 | TP53 (0.67) | SMPD1TP53ALDH1A1PDE4DPDE4A | |
| SCHEMBL13761341 | 0.85 | ALDH1A1 (0.68) | MEN1KMT2AALDH1A1PDE4DPDE4A | |
| SCHEMBL13631286 | 0.85 | ALDH1A1 (0.47) | SMPD1RENALDH1A1PDE4DPDE4A | |
| SCHEMBL56262 | 0.84 | MAPT (0.60) | SMPD1TP53MEN1KMT2APDE4D | |
| Hydrochloric Acid SCHEMBL9638417 | 0.84 | ALDH1A1 (0.66) | MEN1KMT2AALDH1A1PDE4DPDE4A | |
| SCHEMBL90417 | 0.83 | TP53 (0.67) | SMPD1TP53MEN1KMT2APDE4D | |
| SCHEMBL31053926 | 0.82 | MAPK1 (0.63) | SMPD1TP53MEN1KMT2APDE4D | |
| SCHEMBL88815 | 0.82 | KMT2A (0.62) | SMPD1TP53MEN1KMT2AALDH1A1 |
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-117224605-A | Intestine-moistening and bowel-relaxing pharmaceutical composition and preparation method and application thereof | 江苏省中医院 | 2023-12-15 | — | — | CN | disclosed |