Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.35 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8706213 | 0.87 | HTT (0.47) | HTTMAPTAAK1ABL1LMNA | |
| SCHEMBL8705993 | 0.86 | HTT (0.43) | HTTMAPTAAK1ALDH1A1 | |
| SCHEMBL8704442 | 0.86 | AAK1 (0.45) | HTTMAPTAAK1CYP19A1CYP11B1 | |
| SCHEMBL8703295 | 0.85 | HTT (0.41) | HTTMAPTAAK1ALDH1A1CYP19A1 | |
| SCHEMBL8700122 | 0.85 | ALDH1A1 (0.42) | HTTMAPTAAK1ALDH1A1ABL1 | |
| SCHEMBL8705327 | 0.85 | HTT (0.41) | HTTMAPTAAK1ALDH1A1CYP19A1 | |
| SCHEMBL8700673 | 0.85 | HTT (0.42) | HTTMAPTAAK1ALDH1A1LMNA | |
| SCHEMBL8700610 | 0.84 | SLC9A1 (0.49) | MAPTALDH1A1LMNASLC9A1SLC9A3 | |
| SCHEMBL8705466 | 0.83 | HTT (0.41) | HTTMAPTAAK1ALDH1A1CYP19A1 | |
| SCHEMBL8704888 | 0.83 | HTT (0.41) | HTTMAPTAAK1ALDH1A1CYP19A1 |
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-5753680-A | Heterocyclyl-benzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-19 | — | — | US | disclosed |