Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GLP1R | P43220 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GART | P22102 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL2967535 | 0.83 | HCAR3 (0.53) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11523263 | 0.83 | ALDH1A1 (0.60) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8810869 | 0.77 | HCAR3 (0.68) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10249259 | 0.77 | HCAR3 (0.68) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10249297 | 0.77 | CYP3A4 (0.61) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL428455 | 0.77 | HCAR3 (0.53) | HCAR3ALDH1A1L3MBTL1GAAMAPT | |
| SCHEMBL11576321 | 0.76 | ALDH1A1 (0.74) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5784069 | 0.76 | MAPT (0.49) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL116464 | 0.76 | MAPT (0.64) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL118610 | 0.76 | HCAR3 (0.52) | HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |