Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CPT1A | P50416 | 3/20 | 0.40 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6633356 | 0.81 | KDM4E (0.37) | RAB9AKDM4EALDH1A1MAPTLMNA | |
| SCHEMBL6632885 | 0.76 | HTT (0.41) | RAB9ANPC1KDM4EALDH1A1TP53 | |
| SCHEMBL5196351 | 0.75 | ALDH1A1 (0.33) | RAB9AKDM4EALDH1A1MAPTLMNA | |
| SCHEMBL5641473 | 0.73 | SMN1; SMN2 (0.36) | CYP19A1RAB9ANPC1CPT1ACPT1B | |
| SCHEMBL5212357 | 0.72 | CPT1A (0.38) | CYP19A1RAB9ANPC1CPT1ACPT1B | |
| SCHEMBL5212350 | 0.72 | CPT1A (0.38) | CYP19A1RAB9ANPC1CPT1ACPT1B | |
| SCHEMBL6633848 | 0.71 | KDM4E (0.32) | KDM4EALDH1A1 | |
| SCHEMBL14443179 | 0.69 | CPT1A (0.36) | CYP19A1RAB9ANPC1CPT1ACPT1B | |
| SCHEMBL21409140 | 0.62 | CYP1A2 (0.40) | KDM4EALDH1A1MAPTLMNA | |
| SCHEMBL21409139 | 0.62 | CYP1A2 (0.40) | KDM4EALDH1A1MAPTLMNA |
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-1440069-A1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-07-28 | — | — | EP | disclosed |
| WO-2003037895-A1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LIMITED (GB) | 2003-05-08 | — | — | WO | disclosed |