Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2797771 | 0.86 | HTR2C (0.43) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27644412 | 0.78 | PDE10A (0.39) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27644427 | 0.78 | RPS6KB1 (0.42) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27875879 | 0.74 | TRPV1 (0.41) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL2798957 | 0.74 | KIT (0.50) | CYP1A2CYP3A4 | |
| Tert-Butyl Formate SCHEMBL27665817 | 0.73 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| Tert-Butyl Formate SCHEMBL27859340 | 0.73 | CYP1A2 (0.52) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27665969 | 0.73 | HTR2C (0.45) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28021632 | 0.73 | HTR2C (0.72) | HTR2CENPP1 | |
| Tert-Butyl Formate SCHEMBL27644463 | 0.72 | CYP2D6 (0.45) | CYP1A2CYP3A4CLK4CYP2C19HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-1882347-A | AKT protein kinase inhibitors | ARRAY BIOPHARMA INC (US) | 2006-12-20 | — | — | CN | disclosed |