Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPY2R | P49146 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 SCHEMBL28307746 | 0.73 | SIGMAR1 (0.47) | MEN1KMT2ASIGMAR1 | |
| SCHEMBL12971547 | 0.66 | CYP2D6 (0.50) | CYP2D6MEN1KMT2ACYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28780380 | 0.64 | GPR119 (0.42) | MEN1KMT2AALDH1A1MAPTSIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27994114 | 0.63 | CYP2C19 (0.43) | CYP2C19MAPTSIGMAR1 | |
| SCHEMBL222005 | 0.61 | CYP2D6 (0.49) | CYP2D6MEN1KMT2ACYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28284769 | 0.61 | TDP1 (0.48) | — | |
| Tert-Butyl Formate SCHEMBL27524789 | 0.61 | SIGMAR1 (0.66) | MEN1KMT2ACYP2C19ALDH1A1SIGMAR1 | |
| SCHEMBL23085847 | 0.61 | STS (0.44) | KMT2APKM | |
| Tert-Butyl Formate SCHEMBL28750430 | 0.60 | TDP1 (0.50) | ALDH1A1 | |
| SCHEMBL14034000 | 0.59 | PARP1 (0.39) | CYP2C19ALDH1A1SIGMAR1 |
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-1812814-A | Dispersible pharmaceutical composition for treatment of mastitis and otic disorders | PHARMACIA & UPJOHN CO LLC (US) | 2006-08-02 | — | — | CN | claimed |
| CN-1812814-A | Dispersible pharmaceutical composition for treatment of mastitis and otic disorders | PHARMACIA & UPJOHN CO LLC (US) | 2006-08-02 | — | — | CN | disclosed |