Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 11/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12425614 | 0.84 | PIK3CA (0.50) | PIK3CAMTORMEN1KMT2AHRH2 | |
| SCHEMBL12425408 | 0.83 | PIK3CA (0.41) | PIK3CAMTORMEN1KMT2A | |
| SCHEMBL12425803 | 0.82 | DPP4 (0.43) | PIK3CAMTOR | |
| SCHEMBL12426766 | 0.80 | PIK3CA (0.46) | PIK3CAMTORMEN1KMT2AHRH2 | |
| SCHEMBL12425779 | 0.80 | KMT5A (0.43) | PIK3CAMTOR | |
| SCHEMBL12426765 | 0.74 | KMT5A (0.39) | PIK3CAMTOR | |
| SCHEMBL12425356 | 0.70 | PARP1 (0.52) | CYP2C9 | |
| SCHEMBL13223100 | 0.68 | MEN1 (0.46) | KCNH2ELANECMA1MEN1KMT2A | |
| SCHEMBL6294320 | 0.68 | CTSL (0.53) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL13885550 | 0.68 | CTSL (0.53) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 |
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-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |