Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 7/20 | 0.46 |
| ▸ | PDE4A | P27815 | 6/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19190403 | 0.86 | RIPK1 (0.44) | PDE4DPDE4APDE4BPDE4CRIPK1 | |
| SCHEMBL19190527 | 0.86 | RIPK1 (0.44) | PDE4DPDE4APDE4BPDE4CRIPK1 | |
| SCHEMBL23853811 | 0.85 | HTR1A (0.40) | RIPK1KDM4EL3MBTL1P2RX7 | |
| SCHEMBL2548349 | 0.83 | OPRL1 (0.48) | PDE4DPDE4APDE4BPDE4CRIPK1 | |
| SCHEMBL2548347 | 0.83 | OPRL1 (0.48) | PDE4DPDE4APDE4BPDE4CRIPK1 | |
| SCHEMBL2539880 | 0.82 | RIPK1 (0.41) | RIPK1NPC1RAB9AP2RX7 | |
| SCHEMBL2539878 | 0.82 | RIPK1 (0.41) | RIPK1NPC1RAB9AP2RX7 | |
| SCHEMBL14853464 | 0.79 | P2RX7 (0.42) | RIPK1P2RX7 | |
| SCHEMBL2546557 | 0.79 | CYP2C19 (0.49) | KDM4ECYP2C19L3MBTL1ELANE | |
| SCHEMBL2546555 | 0.79 | CYP2C19 (0.49) | KDM4ECYP2C19L3MBTL1ELANE |
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-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |