Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PLD2 | O14939 | 2/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.40 |
| ▸ | UBE2M | P61081 | 2/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7449849 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1PMP22NPSR1CYP2D6 | |
| SCHEMBL5872413 | 0.74 | HTR2A (0.43) | DRD2 | |
| SCHEMBL27667941 | 0.72 | GAA (0.50) | KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL6621315 | 0.71 | HTR2A (0.41) | DRD2SLC6A4CNR2 | |
| SCHEMBL28131223 | 0.71 | POLB (0.47) | KDM4EALDH1A1CYP2C9ICMT | |
| SCHEMBL17358484 | 0.70 | DRD2 (0.45) | DRD2SLC6A4UBE2MDCUN1D1HDAC1 | |
| Fluorobenzene SCHEMBL27514554 | 0.69 | USP14 (0.39) | DRD2KDM4E | |
| Fluorobenzene SCHEMBL27559483 | 0.69 | DRD2 (0.38) | DRD2 | |
| Fluorobenzene SCHEMBL27494422 | 0.69 | DRD2 (0.38) | DRD2GAA | |
| Fluorobenzene SCHEMBL27514550 | 0.67 | OPRM1 (0.37) | DRD2KDM4EGAACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5998409-A | GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 1999-12-07 | — | — | US | disclosed |