Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL20138839 | 0.83 | CYP19A1 (0.39) | ALDH1A1CYP19A1 | |
| SCHEMBL20138842 | 0.83 | PDE4B (0.40) | ALDH1A1CYP19A1PARP1 | |
| SCHEMBL20159716 | 0.81 | PDE4B (0.36) | HRH3ALDH1A1CYP19A1 | |
| SCHEMBL20159737 | 0.79 | RAB9A (0.36) | HRH3ALDH1A1 | |
| SCHEMBL20159528 | 0.79 | PDE4B (0.40) | HRH3ALDH1A1CYP19A1CYP2D6 | |
| SCHEMBL20159426 | 0.78 | CYP19A1 (0.38) | HRH3CYP19A1 | |
| SCHEMBL20159516 | 0.77 | PDE4B (0.34) | CYP19A1 | |
| SCHEMBL20159396 | 0.77 | HRH3 (0.36) | HRH3ALDH1A1CYP19A1CYP1A2CYP2C19 | |
| SCHEMBL20142920 | 0.76 | CYP19A1 (0.45) | ALDH1A1CYP19A1 | |
| SCHEMBL20142970 | 0.75 | TP53 (0.36) | CD274 |
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-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |