Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.74 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4702865 | 0.89 | NPC1 (0.72) | NPC1PDE10AKDM4ELMNAHTT | |
| SCHEMBL4702517 | 0.81 | NPC1 (0.80) | NPC1KDM4ELMNACYP11B1CYP11B2 | |
| SCHEMBL4702660 | 0.81 | PDE4D (0.71) | NPC1PDE4APDE4BPDE4CPDE4D | |
| Bromide SCHEMBL7398620 | 0.80 | NPC1 (0.78) | NPC1KDM4ELMNACYP11B1CYP11B2 | |
| SCHEMBL1554187 | 0.77 | DHODH (0.50) | NPC1PDE10AKDM4ELMNAHTT | |
| Hydrochloric Acid SCHEMBL8570223 | 0.76 | DHODH (0.49) | NPC1PDE10AKDM4ELMNAHTT | |
| SCHEMBL3899046 | 0.76 | PDE4B (0.58) | PDE10AKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4022814 | 0.76 | PDE4A (0.64) | PDE10AKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL31591513 | 0.75 | MKNK1 (0.78) | KDM4EMKNK1MKNK2CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL6984422 | 0.74 | PDE4A (0.62) | PDE10AKDM4EALDH1A1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952832-B1 | QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS | DARWIN DISCOVERY LTD (GB) | 2008-08-27 | — | — | EP | disclosed |
| EP-0952832-A1 | QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS | Darwin Discovery Limited (GB) | 1999-11-03 | — | — | EP | disclosed |
| US-5804588-A | TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR | CHIROSCIENCE LIMITED (GB) | 1998-09-08 | — | — | US | disclosed |
| WO-1997044036-A1 | QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS | DARWIN DISCOVERY LIMITED (GB) | 1997-11-27 | — | — | WO | disclosed |