Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL29003144 | 0.79 | AKR1C4 (0.58) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL29003149 | 0.76 | AKR1C4 (0.58) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL5467106 | 0.76 | MAPT (0.52) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL29003155 | 0.76 | AKR1C4 (0.51) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL9169224 | 0.74 | HTR1A (0.47) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL29003200 | 0.73 | AKR1C4 (0.49) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL8546755 | 0.73 | AKR1C4 (0.49) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL940361 | 0.72 | MAPT (0.62) | AKR1C4AKR1C3AKR1C2AKR1C1CRBN | |
| SCHEMBL29003172 | 0.72 | AKR1C4 (0.48) | HTR1ADRD4HTR2AHTR7DRD3 | |
| SCHEMBL29003167 | 0.71 | AKR1C4 (0.67) | HTR1ADRD4HTR2AHTR7DRD3 |
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-115974850-B | Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof | 中国药科大学 | 2024-08-06 | — | — | CN | disclosed |
| CN-115974850-A | Compound serving as AKR1C3 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-04-18 | — | — | CN | disclosed |