Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.49 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.49 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.49 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.49 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.49 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.49 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.49 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29277746 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HSD17B10HPGDATP1A1 | |
| SCHEMBL6314390 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HSD17B10HPGDATP1A1 | |
| SCHEMBL21035922 | 0.89 | UGT2B7 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDGAA | |
| SCHEMBL21035303 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP1A2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL23449267 | 0.81 | UGT2B7 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDGAA | |
| SCHEMBL6542366 | 0.81 | UGT2B7 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDGAA | |
| SCHEMBL9359370 | 0.80 | TDP1 (0.54) | ALDH1A1CYP3A4HSD17B10HPGDGAA | |
| SCHEMBL21424571 | 0.78 | ALDH1A1 (0.54) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14188196 | 0.78 | CYP3A4 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDGAA | |
| SCHEMBL2168021 | 0.78 | ALDH1A1 (0.54) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3489390-A1 | ELECTROCHEMICAL METHOD FOR O-C COUPLING OF UNPROTECTED PHENOLS WITH OPTICALLY PURE ARYLAMINES | Evonik Degussa GmbH (DE) | 2019-05-29 | — | — | EP | disclosed |
| EP-3252033-B1 | TWO-STAGE SYNTHESIS OF N BIARYL COMPOUNDS | EVONIK DEGUSSA GMBH (DE) | 2018-06-27 | — | — | EP | disclosed |
| EP-3252033-A1 | TWO-STAGE SYNTHESIS OF N BIARYL COMPOUNDS | Evonik Degussa GmbH (DE) | 2017-12-06 | — | — | EP | disclosed |
| US-6943256-B2 | Chiral organic compounds and metal coordination complexes thereof | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2005-09-13 | — | — | US | disclosed |
| US-20040143118-A1 | Chiral organic compounds and metal coordination complexes thereof | ADVANCED RESEARCH & TECHNOLOGY INSTITUTE, INC. | 2004-07-22 | — | — | US | disclosed |
| WO-2002085820-A2 | CHIRAL ORGANIC COMPOUNDS AND METAL COORDINATION COMPLEXES THEREOF | INDIANA UNIVERSITY (US) | 2002-10-31 | — | — | WO | 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-20040143118-A1 | Chiral organic compounds and metal coordination complexes thereof | ORC3, SOD1, SLC39A3 | ALDH1A1 3442/4885CYP3A4 1059/4885HSD17B10 2186/4885 |
“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.