Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CASR | P41180 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL21798458 | 1.00 | CYP3A4 (0.57) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL21798453 | 1.00 | CYP3A4 (0.57) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL15989589 | 0.79 | ALOX15 (0.47) | ALDH1A1ALOX15MAPTTDP1KDM4E | |
| SCHEMBL21798437 | 0.75 | ALOX15 (0.55) | CASRALOX15KMT2AMEN1 | |
| SCHEMBL28509623 | 0.74 | CYP3A4 (0.72) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL4226867 | 0.73 | ALOX15 (0.45) | CYP2C19ALDH1A1ALOX15TDP1KDM4E | |
| SCHEMBL17291687 | 0.73 | TRPV1 (0.51) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL17291688 | 0.73 | TRPV1 (0.51) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL17291685 | 0.73 | TRPV1 (0.51) | CYP3A4LMNACASRHTR1AADORA3 | |
| SCHEMBL17291686 | 0.73 | TRPV1 (0.51) | CYP3A4LMNACASRHTR1AADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10738064-B2 | Chiral α-amino tertiary boronic esters | PURDUE RESEARCH FOUNDATION (US) | 2020-08-11 | — | — | US | disclosed |
| US-20200079799-A1 | Novel Chiral Alfa-Amino Tertiary Boronic Esters | PURDUE RESEARCH FOUNDATION (US) | 2020-03-12 | — | — | 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 (2 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-20200079799-A1 | Novel Chiral Alfa-Amino Tertiary Boronic Esters | HBB, BCAT1, BCAT2 | CYP3A4 1195/4885LMNA 502/4885CASR 1551/4885 |
| US-10738064-B2 | Chiral α-amino tertiary boronic esters | HBB, BCAT1, BCAT2 | CYP3A4 1727/4885LMNA 712/4885CASR 1940/4885 |
“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.