Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28530141 | 1.00 | HDAC1 (0.57) | HDAC1HDAC6PLOD2PTGS2KCNK3 | |
| SCHEMBL9134669 | 0.82 | HDAC3 (0.52) | HDAC1HDAC6PTGS2KCNK3GAA | |
| SCHEMBL18286235 | 0.78 | IMPDH2 (0.59) | PLOD2KCNK3ALDH1A1LMNANPC1 | |
| SCHEMBL2732281 | 0.78 | HDAC1 (0.62) | HDAC1HDAC6GAAALDH1A1APP | |
| SCHEMBL628398 | 0.78 | HDAC1 (0.62) | HDAC1HDAC6PLOD2GAAALDH1A1 | |
| SCHEMBL31268672 | 0.78 | HDAC1 (0.62) | HDAC1HDAC6GAAALDH1A1APP | |
| SCHEMBL5361922 | 0.78 | GAA (0.77) | HDAC1HDAC6PLOD2PTGS2KCNK3 | |
| SCHEMBL29011921 | 0.78 | GAA (0.71) | HDAC1HDAC6PLOD2PTGS2KCNK3 | |
| Hydrochloric Acid SCHEMBL6828319 | 0.77 | HDAC1 (0.61) | HDAC1HDAC6PLOD2PTGS2GAA | |
| SCHEMBL1234255 | 0.75 | HDAC1 (0.59) | HDAC1HDAC6GAAALDH1A1APP |
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-112500445-B | Preparation method of beta-nicotinamide ribose | 黄冈鲁班药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |