Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21798493 | 1.00 | CHRM2 (0.49) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL22327659 | 0.82 | L3MBTL1 (0.43) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL28032109 | 0.80 | ALOX5 (0.47) | OPRM1KMT2AMEN1ALOX5KDM4E | |
| SCHEMBL21798476 | 0.79 | CYP2C19 (0.41) | OPRM1KMT2AMEN1ALOX5CYP2C19 | |
| SCHEMBL21798479 | 0.79 | CYP2C19 (0.41) | OPRM1KMT2AMEN1ALOX5CYP2C19 | |
| SCHEMBL14865109 | 0.78 | MEN1 (0.40) | SLC6A2SLC6A4SLC6A3KMT2AMEN1 | |
| SCHEMBL12767573 | 0.78 | OPRM1 (0.48) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL7381782 | 0.78 | HPGD (0.47) | KMT2ASIGMAR1MEN1ALOX5CYP2D6 | |
| SCHEMBL960788 | 0.78 | ALOX5 (0.45) | OPRM1KMT2AMEN1ALOX5 | |
| SCHEMBL2479871 | 0.76 | ALOX5 (0.50) | ADRA2AOPRM1KCNH2KMT2ASIGMAR1 |
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 | CHRM2 4390/4885HTR1A 4152/4885ADRA2A 1234/4885 |
| US-10738064-B2 | Chiral α-amino tertiary boronic esters | HBB, BCAT1, BCAT2 | CHRM2 4263/4885HTR1A 2868/4885ADRA2A 895/4885 |
“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.