Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL17837312 | 0.95 | CYP2C19 (0.35) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837301 | 0.79 | CA1 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837267 | 0.78 | CYP3A4 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837292 | 0.78 | CYP3A4 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837308 | 0.77 | CYP2C19 (0.35) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837250 | 0.74 | ALDH1A1 (0.33) | ALDH1A1MAPT | |
| SCHEMBL17837305 | 0.73 | SMN1; SMN2 (0.33) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL17837310 | 0.72 | SMN1; SMN2 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8567194 | 0.72 | CYP2C19 (0.45) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL18101498 | 0.72 | ALDH1A1 (0.33) | CYP3A4ALDH1A1TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-11377396-B2 | Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-07-05 | — | — | US | disclosed |
| US-20200157020-A1 | ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-05-21 | — | — | US | disclosed |
| US-10421696-B2 | Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-09-24 | — | — | US | disclosed |
| US-20160176773-A1 | ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-06-23 | — | — | 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 (4 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-11377396-B2 | Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation | ALG8, MANBA, MAN2A1 | CYP2C19 492/4885CYP3A4 373/4885ALDH1A1 122/4885 |
| US-10421696-B2 | Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation | ALG8, MANBA, MAN2A1 | CYP2C19 492/4885CYP3A4 373/4885ALDH1A1 122/4885 |
| US-20160176773-A1 | ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | ALG8, MANBA, MAN2A1 | CYP2C19 651/4885CYP3A4 561/4885ALDH1A1 156/4885 |
| US-20200157020-A1 | ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | ALG8, MANBA, MAN2A1 | CYP2C19 651/4885CYP3A4 561/4885ALDH1A1 156/4885 |
“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.