Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL760939 | 0.83 | TSHR (0.38) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL797973 | 0.82 | TSHR (0.47) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL12914951 | 0.79 | TSHR (0.35) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL15428297 | 0.79 | TSHR (0.35) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL12946603 | 0.77 | TSHR (0.33) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL20753928 | 0.77 | TSHR (0.33) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL85014 | 0.77 | TSHR (0.42) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL16542606 | 0.76 | ACLY (0.40) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL13316716 | 0.74 | ALDH1A1 (0.47) | ACLYTSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL14080730 | 0.74 | ACLY (0.39) | ACLYTSHRALDH1A1CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9067966-B2 | Lupeol-type triterpene derivatives as antivirals | HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) | 2015-06-30 | — | — | US | disclosed |
| WO-2007087150-A2 | TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |