Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bay1067197. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 20/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Bay1067197 SCHEMBL3734456 | 1.00 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL20211450 | 1.00 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL20211454 | 1.00 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL20211437 | 0.99 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL20211436 | 0.99 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL20211438 | 0.99 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL29376927 | 0.99 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| Bay1067197 SCHEMBL7904070 | 0.99 | ADORA1 (0.57) | ADORA1SLC6A3 | |
| SCHEMBL20211457 | 0.98 | ADORA1 (0.56) | ADORA1SLC6A3 | |
| SCHEMBL20211456 | 0.98 | ADORA1 (0.56) | ADORA1SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180155336-A1 | PROCESS FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN0-6-(PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE MONOHYDROCHLORIDE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-06-07 | — | — | 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 (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-20180155336-A1 | PROCESS FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN0-6-(PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE MONOHYDROCHLORIDE | PHYKPL, AASDHPPT, PAH | ADORA1 3585/4885SLC6A3 3031/4885 |
“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.