Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 3/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL20294451 | 0.87 | DRD1 (0.49) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL30498620 | 0.87 | DRD1 (0.49) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL27816587 | 0.84 | CYP2A6 (0.52) | APPDRD1NQO2RAB9AMEN1 | |
| SCHEMBL29256139 | 0.82 | APP (0.49) | APPPDCD1CD274RAB9AMEN1 | |
| SCHEMBL4444483 | 0.75 | APP (0.47) | APPDRD1ALDH1A1CYP2A6 | |
| SCHEMBL35966 | 0.75 | ALDH1A1 (0.59) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL30704990 | 0.74 | DRD1 (0.42) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28602844 | 0.74 | DRD1 (0.42) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL5964342 | 0.74 | CYP2A6 (0.45) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL29016792 | 0.73 | PDCD1 (0.43) | APPPDCD1CD274RAB9AMEN1 |
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-116041277-B | Phenyl and biphenyl substituted five-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2024-11-01 | — | — | CN | disclosed |
| CN-116041277-A | Phenyl and biphenyl substituted five-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2023-05-02 | — | — | CN | disclosed |