Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16389875 | 0.82 | HRH3 (0.47) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL2619346 | 0.80 | HRH3 (0.59) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL21339914 | 0.80 | SMN1; SMN2 (0.41) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL622904 | 0.79 | HRH3 (0.46) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL23970114 | 0.77 | HRH3 (0.44) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL2691840 | 0.77 | HRH3 (0.44) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL2172039 | 0.77 | KDM4E (0.41) | HRH3KDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL5109146 | 0.77 | HRH3 (0.44) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL24081206 | 0.77 | NFKB1 (0.54) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL24837387 | 0.75 | HRH3 (0.37) | HRH3CYP1A2CYP2D6KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3097101-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015112465-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |