Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244162 | 0.90 | CASP1 (0.38) | ALDH1A1NPSR1CASP1EPHX1GAA | |
| SCHEMBL733205 | 0.90 | CASP1 (0.38) | ALDH1A1NPSR1CASP1EPHX1GAA | |
| SCHEMBL731388 | 0.89 | CASP1 (0.36) | ALDH1A1NPSR1CASP1EPHX1GAA | |
| SCHEMBL1244172 | 0.89 | CASP1 (0.36) | ALDH1A1NPSR1CASP1EPHX1GAA | |
| SCHEMBL16257926 | 0.87 | ALDH1A1 (0.36) | ALDH1A1NPSR1CASP1EPHX1GAA | |
| SCHEMBL16502012 | 0.82 | PEPD (0.40) | ALDH1A1RAB9ATSHRLMNACYP3A4 | |
| SCHEMBL8096010 | 0.81 | PEPD (0.41) | ALDH1A1RAB9ATSHRLMNACYP3A4 | |
| SCHEMBL733596 | 0.79 | CASP1 (0.39) | ALDH1A1NPSR1CASP1GAARAB9A | |
| SCHEMBL732029 | 0.78 | CASP1 (0.39) | ALDH1A1NPSR1CASP1GAARAB9A | |
| SCHEMBL8246560 | 0.77 | FKBP1A (0.43) | ALDH1A1NPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309540-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-13 | — | — | US | disclosed |
| US-8309540-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-13 | — | — | US | disclosed |
| US-20100093779-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |
| US-20100093779-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |
| WO-2008051514-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | 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-20100093779-A1 | HCV NS3 PROTEASE INHIBITORS | HAVCR2, GTF3C3, CTSC | ALDH1A1 1199/4885NPSR1 4083/4885CASP1 179/4885 |
“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.