Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18336393 | 0.74 | TNIK (0.38) | BACE1MAPTALDH1A1LMNAFABP4 | |
| SCHEMBL18337002 | 0.74 | FABP4 (0.32) | BACE1ADORA2AADORA1MAPTIRAK4 | |
| SCHEMBL18336097 | 0.73 | FABP4 (0.33) | IRAK4FABP4FABP5 | |
| SCHEMBL18336602 | 0.72 | HSP90AB1 (0.33) | BACE1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL18336908 | 0.70 | STAT3 (0.37) | IRAK4NPC1ALDH1A1RAB9AHPGD | |
| SCHEMBL18336164 | 0.69 | NPC1 (0.31) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18335983 | 0.69 | ALDH1A1 (0.36) | MAPTIRAK4NPC1ALDH1A1RAB9A | |
| SCHEMBL28137252 | 0.68 | TNIK (0.37) | BACE1MAPTIRAK4ALDH1A1LMNA | |
| SCHEMBL1432046 | 0.68 | HSD17B10 (0.61) | NPC1ALDH1A1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3352452 | 0.66 | PLK1 (0.41) | BACE1ADORA2AADORA1MAPTIRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661017-B | Bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2019-09-24 | — | — | CN | disclosed |