Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL4866423 | 1.00 | CES2 (0.33) | CES2CES1HSD11B1NAAAALDH1A1 | |
| SCHEMBL4866439 | 1.00 | CES2 (0.33) | CES2CES1HSD11B1NAAAALDH1A1 | |
| SCHEMBL4857238 | 0.74 | CES2 (0.35) | CES2CES1ALDH1A1MGLL | |
| SCHEMBL4857234 | 0.74 | CES2 (0.35) | CES2CES1ALDH1A1MGLL | |
| SCHEMBL4857243 | 0.74 | CES2 (0.35) | CES2CES1ALDH1A1MGLL | |
| SCHEMBL9852631 | 0.71 | CES2 (0.36) | CES2CES1HSD11B1NAAAALDH1A1 | |
| SCHEMBL9852632 | 0.71 | CES2 (0.36) | CES2CES1HSD11B1NAAAALDH1A1 | |
| SCHEMBL21098237 | 0.71 | — | — | |
| SCHEMBL4868885 | 0.71 | TSHR (0.38) | CES2CES1HSD11B1NAAAALDH1A1 | |
| SCHEMBL4868878 | 0.71 | TSHR (0.38) | CES2CES1HSD11B1NAAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| US-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-07-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | ECH1, CBR1, DHCR24 | CES2 848/4885CES1 235/4885HSD11B1 38/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.