Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
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 SCHEMBL2781275 | 0.95 | ROCK2 (0.48) | ROCK2ABCB1ABCC1MAPK1WNT3A | |
| SCHEMBL2779993 | 0.92 | ROCK2 (0.47) | ROCK2ABCB1ABCC1WNT3A | |
| Acetic Acid SCHEMBL2781387 | 0.88 | ROCK2 (0.49) | ROCK2ABCB1ABCC1WNT3A | |
| SCHEMBL17620898 | 0.88 | KMT2A (0.48) | ROCK2ABCB1ABCC1MAPK1 | |
| SCHEMBL2782249 | 0.84 | MAPK1 (0.43) | ROCK2MAPK1 | |
| SCHEMBL2780845 | 0.83 | KMT2A (0.51) | ROCK2MAPK1 | |
| Acetic Acid SCHEMBL2781206 | 0.83 | HTT (0.49) | ROCK2ABCB1ABCC1MAPK1 | |
| SCHEMBL2784131 | 0.82 | ROCK2 (0.42) | ROCK2MAPK1 | |
| SCHEMBL2783259 | 0.82 | SCN9A (0.44) | ROCK2 | |
| SCHEMBL2781082 | 0.81 | MAPK1 (0.51) | MAPK1 |
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 |