Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2781206 | 0.95 | HTT (0.49) | KMT2AROCK2HTTGAAPLA2G1B | |
| SCHEMBL2781937 | 0.93 | HTT (0.53) | KMT2AROCK2HTTATMGAA | |
| SCHEMBL2782775 | 0.89 | HTT (0.45) | KMT2AROCK2HTTATMGAA | |
| SCHEMBL17620892 | 0.88 | ROCK2 (0.47) | ROCK2ABCB1MAPK1ABCC1 | |
| Acetic Acid SCHEMBL2780720 | 0.85 | HTT (0.48) | KMT2AROCK2HTTGAAMAPK1 | |
| SCHEMBL2781874 | 0.85 | KMT2A (0.46) | KMT2AROCK2HTTGAAPLA2G1B | |
| SCHEMBL2781226 | 0.84 | MEN1 (0.51) | KMT2AROCK2ATMGAAPOLB | |
| SCHEMBL4629710 | 0.84 | KMT2A (0.53) | KMT2AROCK2ATMGAAMAPK1 | |
| Acetic Acid SCHEMBL2781275 | 0.83 | ROCK2 (0.48) | ROCK2GAAABCB1MAPK1ABCC1 | |
| SCHEMBL2780981 | 0.83 | ATM (0.48) | KMT2AROCK2HTTATMGAA |
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-9296697-B2 | Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors | ABBOTT LABORATORIES (US) | 2016-03-29 | — | — | US | claimed |