Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 12/20 | 0.47 |
| ▸ | MTOR | P42345 | 12/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10196002 | 0.85 | PIK3CA (0.62) | PIK3CAMTORCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL6896042 | 0.85 | PIK3CA (0.50) | PIK3CAMTOR | |
| SCHEMBL13495046 | 0.85 | HRH4 (0.45) | ROCK2PIM1PIM3 | |
| SCHEMBL10195788 | 0.84 | PIK3CA (0.63) | PIK3CAMTORCYP1A2CYP3A4CLK4 | |
| SCHEMBL10198370 | 0.83 | PIK3CA (0.46) | PIK3CAMTORRPS6KB1 | |
| SCHEMBL10195984 | 0.83 | PIK3CA (0.64) | PIK3CAMTORRPS6KB1 | |
| SCHEMBL10196564 | 0.81 | PIK3CA (0.53) | PIK3CAMTOR | |
| SCHEMBL10195781 | 0.81 | MTOR (0.65) | PIK3CAMTORRPS6KB1 | |
| SCHEMBL10195811 | 0.80 | PIK3CA (0.66) | PIK3CAMTORRPS6KB1 | |
| SCHEMBL10196524 | 0.80 | PIK3CA (0.66) | PIK3CAMTORCYP1A2CYP3A4CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |