Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832969 | 0.83 | KDM4E (0.47) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090833 | 0.81 | ADORA2A (0.45) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090537 | 0.80 | KDM4E (0.71) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090599 | 0.80 | MAPT (0.58) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28832952 | 0.75 | ADORA2A (0.42) | ADORA2AHDAC1MEN1KMT2AKDM4E | |
| SCHEMBL28090832 | 0.74 | ALDH1A1 (0.57) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090837 | 0.74 | ALDH1A1 (0.57) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090870 | 0.72 | KDM4E (0.55) | ADORA2AHDAC1HDAC3HDAC2MEN1 | |
| SCHEMBL28090875 | 0.71 | ALDH1A1 (0.69) | ADORA2AHDAC1MEN1KMT2AKDM4E | |
| SCHEMBL28090518 | 0.71 | MAPT (0.54) | ADORA2AHDAC1HDAC3HDAC2MEN1 |
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-106187923-A | 2 aryl 4 aroyl triazole compounds and application thereof | 沈阳药科大学 | 2016-12-07 | — | — | CN | disclosed |