Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.45 |
| ▸ | HTR3B | O95264 | 3/20 | 0.45 |
| ▸ | HTR3A | P46098 | 3/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.41 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27908683 | 0.88 | ADRB1 (0.44) | DRD2DRD3ADRB1HTR3EHTR3B | |
| Formic Acid Methyl Ester SCHEMBL28330267 | 0.87 | ADRB1 (0.53) | DRD2DRD3ADRB1HTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL27714021 | 0.86 | MAPT (0.48) | KDM4ETP53ALDH1A1LMNA | |
| Tert-Butyl Formate SCHEMBL28256679 | 0.83 | ADRB1 (0.40) | DRD2DRD3ADRB1HTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL27859337 | 0.83 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL28675132 | 0.83 | TRIM24 (0.51) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27576636 | 0.83 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL28331831 | 0.83 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27615062 | 0.83 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27605765 | 0.83 | LTA4H (0.59) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102264731-A | 1, 2, 4 -oxadiazole derivatives and their therapeutic use | — | 2011-11-30 | — | — | CN | disclosed |
| CN-100509811-C | Azaindoles | AVENTIS PHARMA LTD (GB) | 2009-07-08 | — | — | CN | disclosed |
| CN-1665809-A | Azaindoles | AVENTIS PHARMA LTD (GB) | 2005-09-07 | — | — | CN | disclosed |