Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13910093 | 1.00 | SLC6A4 (0.47) | SLC6A4PNMTSLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL13778646 | 1.00 | SLC6A4 (0.47) | SLC6A4PNMTSLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL6950392 | 0.84 | SLC6A3 (0.46) | SLC6A4PNMTSLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL8284220 | 0.84 | CYP3A4 (0.45) | SLC6A4ALDH1A1CYP3A4 | |
| SCHEMBL10361045 | 0.84 | SLC6A4 (0.44) | SLC6A4PNMTSLC6A2SLC6A3SMN1; SMN2 | |
| SCHEMBL9020578 | 0.84 | SLC6A4 (0.44) | SLC6A4PNMTSLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL2236825 | 0.84 | SLC6A4 (0.44) | SLC6A4PNMTSLC6A2SLC6A3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4931415 | 0.82 | CYP3A4 (0.44) | SLC6A4SLC6A2SLC6A3ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL2236334 | 0.82 | SLC6A4 (0.43) | SLC6A4PNMTSMN1; SMN2 | |
| SCHEMBL20811251 | 0.82 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2CYP3A4 |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697354-B1 | ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME (US) | 2013-08-07 | — | — | EP | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-20060058289-A1 | Mercaptoimidazoles as ccr2 receptor antagonists | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-03-16 | — | — | US | disclosed |
| EP-1592670-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004069810-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-08-19 | — | — | WO | disclosed |
| WO-2004069809-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-08-19 | — | — | WO | disclosed |
| US-6093851-A | N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2000-07-25 | — | — | US | disclosed |
| EP-0735018-B1 | N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL CO (JP) | 1999-07-21 | — | — | EP | disclosed |
| US-5739401-A | N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0735018-A1 | N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-10-02 | — | — | EP | 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 (3 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-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | CCR1, ACKR3, CXCR1 | SLC6A4 4197/4885PNMT 4808/4885SLC6A2 4259/4885 |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, ACKR3, CXCR1 | SLC6A4 4197/4885PNMT 4808/4885SLC6A2 4259/4885 |
| US-20060058289-A1 | Mercaptoimidazoles as ccr2 receptor antagonists | CCR2, CCR5, CXCR3 | SLC6A4 2872/4885PNMT 3205/4885SLC6A2 3429/4885 |
“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.