Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL731216 | 0.86 | TYR (0.40) | ALDH1A1LMNATYRL3MBTL1SMN1; SMN2 | |
| SCHEMBL733515 | 0.84 | ALDH1A1 (0.47) | ALDH1A1LMNATYRMAPT | |
| SCHEMBL10882651 | 0.82 | CASP1 (0.43) | ALDH1A1TYRMAPT | |
| SCHEMBL8869145 | 0.82 | CASP1 (0.43) | ALDH1A1TYRMAPT | |
| SCHEMBL991835 | 0.82 | CASP1 (0.43) | ALDH1A1TYRMAPT | |
| SCHEMBL3513563 | 0.81 | TYR (0.39) | ALDH1A1LMNATYRSMN1; SMN2MAPT | |
| SCHEMBL1988212 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNAL3MBTL1SMN1; SMN2HRH4 | |
| SCHEMBL731552 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNAL3MBTL1SMN1; SMN2HRH4 | |
| SCHEMBL19771835 | 0.81 | HRH4 (0.38) | ALDH1A1LMNAL3MBTL1SMN1; SMN2HRH4 | |
| SCHEMBL459574 | 0.81 | EPHX1 (0.47) | ALDH1A1L3MBTL1SMN1; SMN2FAAHHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| US-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| WO-2010036871-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| US-20090075869-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2009-03-19 | — | — | US | disclosed |
| US-20090075869-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2009-03-19 | — | — | US | disclosed |
| WO-2006119061-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2006-11-09 | — | — | 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-20090075869-A1 | HCV NS3 protease inhibitors | HAVCR2, GTF3C3, CTSC | ALDH1A1 1199/4885LMNA 3730/4885TYR 3599/4885 |
“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.