Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL2301940 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19PDK1 | |
| SCHEMBL1171777 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19PDK1 | |
| SCHEMBL8074120 | 0.90 | PDK1 (0.40) | CYP2D6PDK1ALDH1A1CA2NLRP3 | |
| SCHEMBL2982559 | 0.86 | CYP2C19 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CA2 | |
| SCHEMBL27692298 | 0.84 | PDK1 (0.35) | PDK1ALDH1A1CA2NLRP3OPRK1 | |
| SCHEMBL2224287 | 0.83 | ALDH1A1 (0.37) | PDK1ALDH1A1 | |
| SCHEMBL16320900 | 0.81 | PDK1 (0.34) | PDK1CA2 | |
| SCHEMBL16365768 | 0.81 | PDK1 (0.34) | PDK1CA2 | |
| SCHEMBL3221090 | 0.81 | CA2 (0.33) | PDK1CA2 | |
| SCHEMBL574108 | 0.81 | PDK1 (0.34) | PDK1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014203045-A1 | A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE | LUPIN LIMITED (IN) | 2014-12-24 | — | — | WO | claimed |
| CN-105968086-A | Method for synthesizing ADA | 南京杰运医药科技有限公司 | 2016-09-28 | — | — | CN | disclosed |
| WO-2014203045-A1 | A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE | LUPIN LIMITED (IN) | 2014-12-24 | — | — | WO | disclosed |
| EP-1657310-A1 | Process for the preparation of dihydroxy esters and derivatives thereof | AstraZeneca UK Limited (GB) | 2006-05-17 | — | — | EP | disclosed |