Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.43 |
| ▸ | PDE4A | P27815 | 5/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL2563184 | 1.00 | NPC1 (0.46) | NPC1RAB9AAKR1C3AKR1C1PDE4D | |
| SCHEMBL16060787 | 0.84 | — | — | |
| SCHEMBL29765569 | 0.84 | — | — | |
| SCHEMBL2563797 | 0.81 | P2RX7 (0.44) | NPC1RAB9AKDM5AHDAC4VCP | |
| SCHEMBL25416197 | 0.80 | ALDH1A1 (0.43) | NPC1RAB9AKDM4EKDM5AHDAC4 | |
| SCHEMBL7712965 | 0.79 | KDM5A (0.37) | PDE4DPDE4APDE4BPDE4CKDM5A | |
| SCHEMBL2560138 | 0.78 | GAA (0.47) | NPC1KDM4ECYP2C19POLBL3MBTL1 | |
| SCHEMBL22999404 | 0.78 | NPC1 (0.51) | NPC1RAB9AAKR1C3AKR1C1PDE4D | |
| Acetic Acid SCHEMBL28339371 | 0.78 | KDM5A (0.42) | KDM4EKDM5AHDAC4L3MBTL1 | |
| SCHEMBL17675448 | 0.76 | CYP11B2 (0.42) | NPC1RAB9AKDM4EKDM5A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560975-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |