Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 6/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2970830 | 0.87 | USP30 (0.44) | ESR1ESR2KIF11ROCK1SLC6A4 | |
| SCHEMBL2971923 | 0.85 | SLC6A4 (0.49) | SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL30062226 | 0.76 | SLC6A2 (0.51) | ESR1ESR2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL749355 | 0.75 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL752255 | 0.73 | POLB (0.41) | ESR1ESR2 | |
| SCHEMBL4555320 | 0.73 | ROCK1 (0.54) | ROCK1 | |
| SCHEMBL13072679 | 0.72 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL18640513 | 0.71 | ROCK1 (0.42) | ROCK1 | |
| SCHEMBL18642457 | 0.71 | ROCK1 (0.42) | ROCK1 | |
| SCHEMBL749973 | 0.70 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3HRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2429293-A1 | CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF | Bristol-Myers Squibb Company (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2429296-A1 | 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132487-A1 | CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010132442-A1 | 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF | ALBANY MOLECULAR RESERCH, INC. (US) | 2010-11-18 | — | — | WO | disclosed |