Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.55 |
| ▸ | METAP1 | P53582 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873660 | 0.86 | ACHE (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8598439 | 0.86 | ACHE (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8595669 | 0.84 | ACHE (0.54) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8874770 | 0.84 | ACHE (0.54) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8595671 | 0.84 | ACHE (0.54) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL5951282 | 0.82 | CYP19A1 (0.38) | ACHEMETAP1CYP19A1AADATALDH1A1 | |
| SCHEMBL7627859 | 0.81 | ACHE (0.62) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL24209598 | 0.79 | CYP19A1 (0.36) | ACHEMETAP1CYP19A1ALDH1A1CA1 | |
| SCHEMBL19357479 | 0.79 | SIRT2 (0.35) | ACHEMETAP1 | |
| SCHEMBL3718760 | 0.77 | THRA (0.39) | METAP1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008115141-A1 | 4, 5-DIHYDRO-1,3-THIAZOL-2-AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-09-25 | — | — | WO | disclosed |