Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | F9 | P00740 | 2/20 | 0.30 |
| ▸ | F11 | P03951 | 2/20 | 0.30 |
| ▸ | KLKB1 | P03952 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17713672 | 0.81 | PDE3B (0.32) | PDE3BPDE3ABRPF1CREBBPTP53 | |
| SCHEMBL17713701 | 0.74 | LMNA (0.42) | HTR2CHTR2APDE3BPDE3AHTR1A | |
| SCHEMBL15463646 | 0.70 | HTR2A (0.42) | HTR2CHTR2AHTR2B | |
| SCHEMBL13091243 | 0.69 | ACHE (0.53) | HTR5ABRPF1CREBBP | |
| SCHEMBL16792610 | 0.68 | HTR5A (0.41) | HTR5ABRPF1CREBBP | |
| SCHEMBL31180367 | 0.68 | HTR2A (0.37) | HTR2CHTR2AHTR2BPDE3BPDE3A | |
| SCHEMBL7428693 | 0.68 | BRD4 (0.51) | HTR2CHTR2AHTR2BPDE3BPDE3A | |
| SCHEMBL7866698 | 0.68 | AHR (0.53) | HTR2CHTR2AHTR2BPGRHTR1D | |
| SCHEMBL14550603 | 0.68 | BRD4 (0.51) | HTR2CHTR2AHTR2BPDE3BPDE3A | |
| SCHEMBL24157211 | 0.67 | BRPF1 (0.46) | HTR2CPGRHTR1AHTR1DHTR7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3212630-A1 | NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2017-09-06 | — | — | EP | disclosed |
| EP-3212631-A1 | PYRAZOLYL-3,4-DIHYDROQUINOLIN-2-ONE ALDOSTERONE SYNTHASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-09-06 | — | — | EP | disclosed |
| EP-3212638-A1 | NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-09-06 | — | — | EP | disclosed |
| WO-2016066663-A1 | PYRAZOLYL-3,4-DIHYDROQUINOLIN-2-ONE ALDOSTERONE SYNTHASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-06 | — | — | WO | disclosed |
| WO-2016066662-A1 | NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-06 | — | — | WO | disclosed |
| WO-2016066597-A1 | NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-06 | — | — | WO | disclosed |