Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 5/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | TYK2 | P29597 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16913887 | 0.78 | LMNA (0.44) | DRD2DRD4DRD3SIGMAR1KMT2A | |
| SCHEMBL30007952 | 0.75 | DRD4 (0.59) | DRD2DRD4DRD3SIGMAR1MEN1 | |
| SCHEMBL30007886 | 0.75 | GFER (0.47) | DRD2DRD4DRD3SIGMAR1KMT2A | |
| SCHEMBL29215986 | 0.75 | EGFR (0.47) | DRD2DRD4DRD3SIGMAR1KMT2A | |
| SCHEMBL30008538 | 0.74 | ALDH1A1 (0.41) | DRD2DRD4DRD3JAK1KMT2A | |
| SCHEMBL25296328 | 0.72 | PLK4 (0.44) | JAK2JAK3GAAPDPK1 | |
| SCHEMBL25303627 | 0.68 | AURKA (0.49) | JAK2JAK3KDM4EALDH1A1LMNA | |
| SCHEMBL22864675 | 0.67 | PDPK1 (0.52) | JAK2JAK3KDM4EALDH1A1LMNA | |
| SCHEMBL28541244 | 0.67 | SCD (0.41) | KDM4E | |
| SCHEMBL5339464 | 0.67 | SPR (0.55) | BCHEACHEKMT2AALDH1A1 |
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-113121531-B | N-heteroindole compound, synthesis method and medical application thereof | 上海药明康德新药开发有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-113121531-A | N-heteroindole compound, and synthesis method and medical application thereof | 上海药明康德新药开发有限公司 | 2021-07-16 | — | — | CN | disclosed |