Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 2/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11496525 | 0.83 | ALDH1A1 (0.40) | ADORA2AMAPTMEN1KMT2ANPC1 | |
| SCHEMBL28093347 | 0.82 | RAB9A (0.39) | HRH2HRH3MAPTMEN1KMT2A | |
| SCHEMBL28310780 | 0.81 | GPR84 (0.46) | ADORA2AMAPTMEN1KMT2AADORA3 | |
| SCHEMBL8744972 | 0.78 | NPC1 (0.39) | MAPTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL17739710 | 0.71 | GPR84 (0.41) | ADORA2AMAPTNPC1RAB9AADORA3 | |
| SCHEMBL28047038 | 0.71 | ALDH1A1 (0.47) | CASP3SENP8SENP7SENP6MAPT | |
| SCHEMBL28047018 | 0.71 | KMT2A (0.46) | MAPTSCN4AMEN1KMT2ANPC1 | |
| SCHEMBL17969189 | 0.71 | ADORA1 (0.49) | ADORA2AMAPTSCN4AMEN1KMT2A | |
| SCHEMBL8514982 | 0.70 | ATP4A (0.38) | HRH3MAPTADORA3ADORA1 | |
| SCHEMBL5434981 | 0.70 | ALDH1A1 (0.36) | HRH3MAPTMEN1KMT2ANPC1 |
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-105541738-B | A kind of preparation method of the acetophenone compounds of triazole substitution | 西北师范大学 | 2018-04-06 | — | — | CN | disclosed |