Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.46 |
| ▸ | FADS1 | O60427 | 2/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21772472 | 0.90 | TRPA1 (0.42) | TRPA1PIK3CDFADS1EGLN1GCGR | |
| SCHEMBL21772732 | 0.90 | SLC2A1 (0.42) | TRPA1PIK3CDFADS1CYP2C9CYP1A2 | |
| SCHEMBL2715655 | 0.86 | PIK3CD (0.44) | TRPA1PIK3CDFADS1CYP3A4CYP2C9 | |
| SCHEMBL21772620 | 0.79 | PIK3CD (0.46) | TRPA1PIK3CDFADS1CYP3A4CYP2C9 | |
| SCHEMBL21772442 | 0.79 | PIK3CD (0.58) | TRPA1PIK3CDFADS1CYP3A4CYP2C9 | |
| SCHEMBL890530 | 0.77 | PIK3CD (0.57) | PIK3CDGCGRCYP1A2CYP2C19KCNA5 | |
| SCHEMBL21772429 | 0.77 | IDO1 (0.41) | PIK3CDCYP3A4CYP2C9CYP2D6GCGR | |
| SCHEMBL890508 | 0.76 | PIK3CD (0.58) | TRPA1PIK3CDFADS1 | |
| SCHEMBL890483 | 0.75 | FADS1 (0.40) | TRPA1FADS1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL21772584 | 0.74 | PIK3CD (0.63) | TRPA1PIK3CD |
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-2020038394-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR | 南京明德新药研发有限公司 | 2020-02-27 | — | — | WO | disclosed |