Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3346743 | 0.91 | BCHE (0.57) | BCHEKDM4EMAPTPKMMTNR1B | |
| SCHEMBL1680336 | 0.91 | BCHE (0.57) | BCHEKDM4EMAPTPKMMTNR1B | |
| SCHEMBL990798 | 0.91 | BCHE (0.57) | BCHEKDM4EMAPTPKMMTNR1B | |
| Hydrochloric Acid SCHEMBL987382 | 0.89 | BCHE (0.56) | BCHEKDM4EMAPTPKMMTNR1B | |
| SCHEMBL12200056 | 0.89 | ADRB2 (0.45) | BCHEKDM4EMAPTKMT2AGAA | |
| Acetic Acid SCHEMBL3169809 | 0.87 | MTNR1B (0.54) | BCHEKDM4EMAPTPKMMTNR1B | |
| Acetic Acid SCHEMBL990742 | 0.87 | MTNR1B (0.54) | BCHEKDM4EMAPTPKMMTNR1B | |
| Hydrochloric Acid SCHEMBL3654652 | 0.82 | BCHE (0.47) | BCHEKDM4EMAPTPKMMTNR1B | |
| SCHEMBL4026249 | 0.81 | BCHE (0.58) | BCHEKDM4EMAPTPKMKDM4C | |
| SCHEMBL6391182 | 0.81 | ADRB2 (0.53) | BCHEKDM4CKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2227455-B1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-12 | — | — | EP | disclosed |