Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | FPR1 | P21462 | 2/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20159396 | 0.87 | HRH3 (0.36) | NPC1RAB9ASMN1; SMN2HRH3L3MBTL1 | |
| SCHEMBL20142913 | 0.84 | SMN1; SMN2 (0.39) | NPC1RAB9ASMN1; SMN2PAX8GAA | |
| SCHEMBL20159374 | 0.82 | SMN1; SMN2 (0.39) | NPC1RAB9ASMN1; SMN2PAX8GAA | |
| SCHEMBL20138970 | 0.81 | FPR1 (0.37) | NPC1RAB9ASMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL20138895 | 0.79 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2PAX8HRH3 | |
| SCHEMBL20159737 | 0.77 | RAB9A (0.36) | NPC1RAB9ASMN1; SMN2HRH3GAA | |
| SCHEMBL20159532 | 0.77 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2PAX8HRH3 | |
| SCHEMBL20142960 | 0.76 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2PAX8GAA | |
| SCHEMBL20159747 | 0.75 | GSK3B (0.40) | RAB9ASMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL20138995 | 0.72 | PDE4A (0.45) | NPC1RAB9ASMN1; SMN2HRH3GAA |
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 |