Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.42 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL27755249 | 0.82 | KEAP1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL10752045 | 0.81 | EPHX2 (0.34) | — | |
| SCHEMBL25279171 | 0.81 | ALDH1A1 (0.66) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL27341065 | 0.81 | MRGPRX4 (0.53) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL19043821 | 0.80 | EPHX2 (0.48) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL27843215 | 0.79 | PPARA (0.55) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL25280765 | 0.77 | ALDH1A1 (0.57) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL27860828 | 0.77 | PTPN1 (0.42) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL27860827 | 0.77 | ALDH1A1 (0.38) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL4859223 | 0.77 | FOLH1 (0.65) | HNF4AFOLH1PTPN1PTPN2PTPN6 |
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-8063098-B2 | GlyT1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100048531-A1 | GlyT1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-02-25 | — | — | 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-20100048531-A1 | GlyT1 RECEPTOR ANTAGONISTS | GLRA1, GLRA2, GRIA1 | KLKB1 3157/4885CTSB 4234/4885MMP9 3725/4885 |
“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.