Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2082566 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRCTSKSMN1; SMN2MAPT | |
| SCHEMBL29220175 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2MAPTHCAR2 | |
| SCHEMBL2083933 | 0.81 | CTSL (0.42) | SMN1; SMN2CTSLCTSB | |
| SCHEMBL24627654 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2HCAR2L3MBTL1 | |
| SCHEMBL14266053 | 0.77 | CTSK (0.44) | CTSKSMN1; SMN2SYKKMT2ACTSL | |
| SCHEMBL5117346 | 0.77 | CTSK (0.44) | CTSKSMN1; SMN2SYKKMT2ACTSL | |
| SCHEMBL29220153 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2HCAR2L3MBTL1 | |
| SCHEMBL1273767 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2HCAR2L3MBTL1 | |
| SCHEMBL24425865 | 0.75 | ALDH1A1 (0.49) | ALDH1A1TSHRHCAR2L3MBTL1MAPK1 | |
| SCHEMBL9326476 | 0.75 | MAPT (0.43) | CTSKMAPTSYKTDP1CTSB |
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 | ALDH1A1 3415/4885TSHR 3868/4885CTSK 1359/4885 |
“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.