Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 6/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31083691 | 0.92 | KIF11 (0.41) | ECE1KIF11CCR2PDE4DHSD11B1 | |
| SCHEMBL30593308 | 0.92 | KIF11 (0.46) | ECE1KIF11CCR2PDE4DHSD11B1 | |
| SCHEMBL31083744 | 0.90 | PDE4D (0.45) | KIF11PDE4DHSD11B1LMNAMAPT | |
| SCHEMBL31083762 | 0.90 | KIF11 (0.41) | ECE1KIF11CCR2PDE4DKDM4E | |
| SCHEMBL31083765 | 0.90 | KIF11 (0.41) | KIF11CCR2PDE4DKDM4EBRD4 | |
| SCHEMBL31083687 | 0.90 | CYP11B2 (0.44) | KIF11 | |
| SCHEMBL31083773 | 0.90 | PDE4D (0.47) | KIF11PDE4DHSD11B1LMNAMAPT | |
| SCHEMBL31070623 | 0.89 | ECE1 (0.40) | ECE1KIF11CCR2KDM4EBRD4 | |
| SCHEMBL31083800 | 0.89 | KIF11 (0.41) | KIF11PDE4DHSD11B1KDM4EBRD4 | |
| SCHEMBL31083752 | 0.89 | KIF11 (0.49) | ECE1KIF11PDE4DHSD11B1 |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |