Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 9/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.38 |
| ▸ | AKT1 | P31749 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27644412 | 0.87 | PDE10A (0.39) | HTR2CCYP1A2CYP3A4ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL2799130 | 0.83 | HTR2C (0.46) | RPS6KB1HTR2CAKT1KCNH2CYP1A2 | |
| Tert-Butyl Formate SCHEMBL27644885 | 0.79 | HTR2C (0.38) | RPS6KB1HTR2CAKT1CYP1A2CYP3A4 | |
| Tert-Butyl Formate SCHEMBL27665794 | 0.78 | CYP1A2 (0.35) | HTR2CCYP1A2CYP3A4ALDH1A1CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28077893 | 0.78 | FLT3 (0.52) | HTR2C | |
| Tert-Butyl Formate SCHEMBL27644522 | 0.78 | CYP1A2 (0.36) | HTR2CCYP1A2CYP3A4ALDH1A1CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28077894 | 0.78 | HTR2C (0.39) | RPS6KB1HTR2CAKT1CYP1A2CYP3A4 | |
| Tert-Butyl Formate SCHEMBL27644463 | 0.77 | CYP2D6 (0.45) | HTR2CCYP1A2CYP3A4CYP2C19CLK4 | |
| Tert-Butyl Formate SCHEMBL28021632 | 0.75 | HTR2C (0.72) | RPS6KB1HTR2CAKT1AKT2HRH4 | |
| Tert-Butyl Formate SCHEMBL27875879 | 0.74 | TRPV1 (0.41) | HTR2CCYP1A2CYP3A4ALDH1A1CYP2C19 |
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 |