Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17837308 | 0.90 | CYP2C19 (0.35) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL17837301 | 0.90 | CA1 (0.39) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL17837292 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL17837304 | 0.78 | CYP2C19 (0.32) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL17837312 | 0.76 | CYP2C19 (0.35) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL17837269 | 0.74 | FAAH (0.38) | CYP3A4ALDH1A1CASP1HSD17B10 | |
| SCHEMBL14498562 | 0.71 | TACR1 (0.39) | CYP3A4TSHRALDH1A1CASP1MAPT | |
| SCHEMBL5296014 | 0.67 | CYP2C19 (0.78) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL545547 | 0.67 | CYP3A4 (0.55) | CYP3A4TSHRALDH1A1CASP1MAPT | |
| SCHEMBL16242486 | 0.67 | CYP3A4 (0.39) | CYP3A4TSHRALDH1A1CASP1MAPT |
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 | CYP3A4 373/4885CYP2C19 492/4885TSHR 4241/4885 |
| US-10421696-B2 | Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation | ALG8, MANBA, MAN2A1 | CYP3A4 373/4885CYP2C19 492/4885TSHR 4241/4885 |
| US-20160176773-A1 | ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | ALG8, MANBA, MAN2A1 | CYP3A4 561/4885CYP2C19 651/4885TSHR 4414/4885 |
| US-20200157020-A1 | ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | ALG8, MANBA, MAN2A1 | CYP3A4 561/4885CYP2C19 651/4885TSHR 4414/4885 |
“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.