Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 7/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8475478 | 0.74 | IDH1 (0.51) | HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8475475 | 0.74 | IDH1 (0.51) | HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3570167 | 0.70 | IDH1 (0.38) | HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3576644 | 0.69 | HSD11B1 (0.37) | HSD11B1ALDH1A1ATMCYP1A2CYP2C9 | |
| SCHEMBL20340441 | 0.68 | IDH1 (0.46) | HSD11B1ALDH1A1ATMIDH1SMN1; SMN2 | |
| SCHEMBL5418053 | 0.66 | IDH1 (0.38) | ALDH1A1ATMIDH1 | |
| SCHEMBL17149455 | 0.66 | TSHR (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19IDH1 | |
| Hydrochloric Acid SCHEMBL17140395 | 0.65 | TSHR (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19IDH1 | |
| SCHEMBL7812799 | 0.65 | ALDH1A1 (0.35) | HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8475165 | 0.65 | GAA (0.36) | HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143193-B | Biaryl or heterocyclic biaryl substituted cyclohexene derivative compounds as CETP inhibitors | 株式会社钟根堂 | 2017-12-15 | — | — | CN | disclosed |
| EP-2632269-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058187-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |