Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6665422 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL14369096 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| Hydrochloric Acid SCHEMBL4432748 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| Hydrochloric Acid SCHEMBL31511527 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| Hydrochloric Acid SCHEMBL4433636 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL24764448 | 0.88 | — | — | |
| SCHEMBL10290697 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL27751161 | 0.85 | SLC6A1 (0.36) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| Tert-Butyl Formate SCHEMBL27768808 | 0.84 | CHRM2 (0.35) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL3945815 | 0.77 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086982-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-29 | — | — | EP | disclosed |
| EP-2268285-B1 | THERAPEUTIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2018-06-27 | — | — | EP | disclosed |
| US-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2015-09-24 | — | — | US | disclosed |
| US-8591878-B2 | Therapeutic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-11-26 | — | — | US | disclosed |
| US-20110002884-A1 | THERAPEUTIC COMPOUNDS | MERCK SHARP & DOHME LLC | 2011-01-06 | — | — | US | disclosed |
| EP-2268285-A1 | THERAPEUTIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2011-01-05 | — | — | EP | disclosed |
| US-20100099695-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2010-04-22 | — | — | US | disclosed |
| CN-101611039-A | HCV NS3 protease inhibitors | MERCK & CO INC (US) | 2009-12-23 | — | — | CN | disclosed |
| WO-2009108507-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |
| CN-101484442-A | Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia | ASTRAZENECA AB (SE) | 2009-07-15 | — | — | CN | disclosed |
| WO-2007126362-A1 | COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | WO | disclosed |
| US-20070259888-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-20070259888-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | 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 (4 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-20100099695-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | CHRNB2 4882/4885CHRNA4 4881/4885CHRM2 4884/4885 |
| US-20070259888-A1 | Novel Compounds | OPRL1, OPRM1, SIGMAR1 | CHRNB2 1561/4885CHRNA4 1336/4885CHRM2 56/4885 |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | CHRNB2 4882/4885CHRNA4 4881/4885CHRM2 4884/4885 |
| US-20110002884-A1 | THERAPEUTIC COMPOUNDS | RRP1B, ZC3HAV1, RNASE1 | CHRNB2 4829/4885CHRNA4 4859/4885CHRM2 3657/4885 |
“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.