Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24363131 | 0.73 | KMT2A (0.56) | CYP11B1CYP11B2KMT2AKDM4ENPSR1 | |
| SCHEMBL13728586 | 0.73 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL12925963 | 0.72 | CYP2A6 (0.42) | — | |
| SCHEMBL31356506 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL2609357 | 0.71 | KIF11 (0.47) | CYP1A2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL888893 | 0.71 | CHRNA7 (0.36) | HSD17B10ALDH1A1KMT2AKDM4E | |
| SCHEMBL20437891 | 0.69 | ABL1 (0.46) | ABL1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL10073280 | 0.69 | ALDH1A1 (0.32) | CYP1A2CYP17A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11951663 | 0.67 | NPSR1 (0.45) | ALDH1A1NPSR1 | |
| SCHEMBL276832 | 0.67 | KMT2A (0.43) | ALDH1A1MAPK1KMT2AKDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023227734-A1 | FLAVIVIRUS INHIBITORS | IRBM S.P.A. (IT) | 2023-11-30 | — | — | WO | disclosed |