Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 9/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14443276 | 0.85 | CYP2D6 (0.66) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL12516683 | 0.84 | CYP2D6 (0.58) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL18824918 | 0.81 | CA12 (0.47) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL15157269 | 0.80 | CTSK (0.46) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL21366071 | 0.79 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL21729501 | 0.79 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL14846775 | 0.79 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL804230 | 0.79 | CYP2D6 (0.56) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1505521 | 0.78 | CTSK (0.55) | CYP2D6CA1CA2CA7CA12 | |
| SCHEMBL8807250 | 0.78 | CTSK (0.55) | CYP2D6CA1CA2CA7CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NDSU RESEARCH FOUNDATION (US) | 2012-03-22 | — | — | US | disclosed |
| US-8034974-B2 | Beta-amino acids and methods intermediates for making same | NDSU RESEARCH FOUNDATION (US) | 2011-10-11 | — | — | US | disclosed |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NORTH DAKOTA STATE UNIVERSITY | 2011-09-08 | — | — | 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-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | BCAT1, BCAT2, DAO | CYP2D6 1970/4885CA1 2083/4885CA2 1890/4885 |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | BCAT1, BCAT2, DAO | CYP2D6 1970/4885CA1 2083/4885CA2 1890/4885 |
“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.