Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL16193905 | 0.98 | CA1 (0.30) | CA1CA2CA9 | |
| SCHEMBL1759309 | 0.82 | CA1 (0.32) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL575704 | 0.79 | CA1 (0.33) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL14779233 | 0.79 | CA1 (0.43) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL778573 | 0.79 | ALDH1A1 (0.46) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL778307 | 0.77 | CA1 (0.32) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL14780351 | 0.75 | CA1 (0.35) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL21801671 | 0.75 | ALDH1A1 (0.36) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL21801399 | 0.75 | ALDH1A1 (0.36) | CA1CA2CA9ALDH1A1CXCR2 | |
| SCHEMBL15282823 | 0.75 | CA1 (0.36) | CA1CA2CA9ALDH1A1CXCR2 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501294-B | Rapamycin guanidine derivative and purposes | 福建省微生物研究所 | 2019-09-10 | — | — | CN | disclosed |
| CN-107501294-A | Rapamycin guanidine derivative and purposes | 福建省微生物研究所 | 2017-12-22 | — | — | CN | disclosed |
| US-20120058932-A1 | ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION | MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2012-03-08 | — | — | US | disclosed |
| EP-1545525-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-11-10 | — | — | EP | disclosed |
| US-7754188-B2 | Radiolabeled cannabinoid-1 receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2010-07-13 | — | — | US | disclosed |
| EP-1545525-A4 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| US-7354935-B2 | Radiolabeled neurokinin-1 receptor antagonists | MERCK & CO. INC. (US) | 2008-04-08 | — | — | US | disclosed |
| EP-1641493-A4 | RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | disclosed |
| US-20070060618-A1 | Alkyne derivatives as tracers for metabotropic glutamate receptor binding | MERCK & CO., INC. (US) | 2007-03-15 | — | — | US | disclosed |
| EP-1556142-A4 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | MERCK & CO INC (US) | 2006-11-08 | — | — | EP | disclosed |
| US-20060115425-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2006-06-01 | — | — | US | disclosed |
| EP-1641493-A1 | RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| US-20050214204-A1 | Radiolabeled neurokinin-1 receptor antagonists | MERCK SHARP & DOHME CORP. | 2005-09-29 | — | — | US | disclosed |
| EP-1556142-A2 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | Merck & Co., Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| EP-1545525-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2005009479-A1 | RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-2004038374-A2 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | MERCK & CO., INC. (US) | 2004-05-06 | — | — | WO | disclosed |
| WO-2004029024-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| WO-1996020928-A1 | PIPERIDINE-BASED SIGMA RECEPTOR LIGANDS | AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) | 1996-07-11 | — | — | 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 (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-20050214204-A1 | Radiolabeled neurokinin-1 receptor antagonists | TACR1, TACR2, NTSR1 | CA1 1610/4885CA2 2598/4885CA9 3222/4885 |
| US-20060115425-A1 | Substituted amides | CNR1, CNR2, FAAH | CA1 1863/4885CA2 3441/4885CA9 3206/4885 |
| US-20070060618-A1 | Alkyne derivatives as tracers for metabotropic glutamate receptor binding | GRM5, GRM3, GRIK5 | CA1 1924/4885CA2 1592/4885CA9 3954/4885 |
| US-20120058932-A1 | ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION | VIP, FIBP, MMP7 | CA1 1468/4885CA2 1863/4885CA9 944/4885 |
“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.