Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11668287 | 0.85 | MEN1 (0.45) | KMT2AMEN1TGM2 | |
| SCHEMBL11668321 | 0.85 | TSHR (0.49) | ALDH1A1GAASLC6A3NPC1MAPT | |
| SCHEMBL11668286 | 0.85 | TSHR (0.49) | ALDH1A1GAASLC6A3NPC1MAPT | |
| SCHEMBL11501626 | 0.85 | TSHR (0.49) | ALDH1A1GAASLC6A3NPC1MAPT | |
| SCHEMBL11668516 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL11668443 | 0.75 | MEN1 (0.49) | ALDH1A1GAAKMT2AMEN1NPC1 | |
| SCHEMBL11501927 | 0.75 | TSHR (0.51) | ALDH1A1GAAKMT2AMEN1NPC1 | |
| SCHEMBL11501940 | 0.72 | CACNA1G (0.50) | — | |
| SCHEMBL11668333 | 0.71 | MEN1 (0.48) | ALDH1A1HDAC1KMT2AMEN1NPC1 | |
| SCHEMBL11501785 | 0.71 | TSHR (0.54) | ALDH1A1GAAKMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4022962-A | DENTAL PLAQUE INHIBITORS | COOPER LABORATORIES, INC. (US) | 1977-05-10 | — | — | US | claimed |