Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14123361 | 0.90 | AHR (0.48) | AHRTBXAS1FAAH | |
| Oxalic Acid SCHEMBL22558548 | 0.86 | AHR (0.45) | AHRTBXAS1FAAH | |
| SCHEMBL1171099 | 0.84 | AHR (0.42) | AHRTBXAS1 | |
| SCHEMBL1528059 | 0.83 | AHR (0.41) | AHRTBXAS1FAAHCYP3A4HPGD | |
| SCHEMBL577558 | 0.81 | FAAH (0.36) | AHRTBXAS1FAAH | |
| SCHEMBL15212787 | 0.80 | AHR (0.44) | AHRTBXAS1CYP26A1CYP3A4 | |
| SCHEMBL1527981 | 0.79 | AHR (0.43) | AHRTBXAS1 | |
| SCHEMBL29180533 | 0.77 | AHR (0.36) | AHRTBXAS1 | |
| SCHEMBL15309379 | 0.77 | AHR (0.39) | AHRTBXAS1 | |
| SCHEMBL22571992 | 0.77 | AHR (0.57) | AHRTBXAS1HPGD |
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-7902218-B2 | Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-20080153868-A1 | Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-06-26 | — | — | 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 (1 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-20080153868-A1 | Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors | BACE1, APP, BACE2 | AHR 3697/4885TBXAS1 1025/4885FAAH 752/4885 |
“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.