Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29761171 | 0.79 | LMNA (0.45) | RAB9ATP53L3MBTL1HTTLMNA | |
| SCHEMBL21916800 | 0.76 | RAB9A (0.56) | ALDH1A1RAB9AHTTLMNAPDGFRA | |
| SCHEMBL4481508 | 0.75 | ALDH1A1 (0.73) | ALDH1A1RAB9AHTTLMNAPDGFRA | |
| SCHEMBL4460442 | 0.75 | ALDH1A1 (0.75) | ALDH1A1RAB9AHTTPDGFRBLMNA | |
| SCHEMBL28645979 | 0.74 | ALDH1A1 (0.71) | ALDH1A1RAB9ALMNAKDM4EMAPT | |
| SCHEMBL6328663 | 0.74 | ALDH1A1 (0.55) | ALDH1A1RAB9AL3MBTL1LMNAPDGFRA | |
| SCHEMBL8740907 | 0.70 | RAB9A (0.58) | ALDH1A1RAB9AHTTLMNAKDM4E | |
| SCHEMBL14543745 | 0.67 | PDGFRB (0.44) | ALDH1A1RAB9AHTTPDGFRBLMNA | |
| SCHEMBL8703712 | 0.67 | TP53 (0.41) | ALDH1A1RAB9ATP53L3MBTL1HTT | |
| SCHEMBL7298629 | 0.67 | LMNA (0.51) | ALDH1A1RAB9AHTTLMNAPDGFRA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111606888-B | Pyrrole derivative and preparation method and application thereof | 中国药科大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-111606888-A | Pyrrole derivative and preparation method and application thereof | 中国药科大学 | 2020-09-01 | — | — | CN | disclosed |