Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28511503 | 1.00 | MAPT (0.47) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL18428073 | 0.92 | MAPT (0.45) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL18428072 | 0.92 | MAPT (0.45) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL18472308 | 0.86 | MAPT (0.44) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL28529095 | 0.83 | CYP2D6 (0.41) | PPARGPPARAKMT2ACACNA1B | |
| SCHEMBL28529092 | 0.83 | CYP2D6 (0.41) | PPARGPPARAKMT2ACACNA1B | |
| SCHEMBL28528152 | 0.80 | KMT2A (0.50) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL28528149 | 0.80 | KMT2A (0.50) | MAPTSMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL28511517 | 0.80 | CACNA1B (0.39) | SMN1; SMN2CACNA1B | |
| SCHEMBL28511519 | 0.80 | CACNA1B (0.39) | SMN1; SMN2CACNA1B |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |