Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | ABL2 | P42684 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CTSE | P14091 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 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 | |
|---|---|---|---|---|
| SCHEMBL27785952 | 0.96 | PIK3CA (0.40) | PIK3CAABL1EGFRSRCABL2 | |
| SCHEMBL27785963 | 0.90 | SSTR2 (0.34) | PIK3CAABL1EGFRSRCABL2 | |
| SCHEMBL27786002 | 0.90 | PIK3CA (0.33) | PIK3CAABL1EGFRSRCABL2 | |
| SCHEMBL27807921 | 0.89 | CHRNB1 (0.37) | PIK3CAABL1EGFRSRCABL2 | |
| SCHEMBL27785945 | 0.88 | PIK3CA (0.35) | PIK3CAABL1EGFRSRCABL2 | |
| SCHEMBL27786013 | 0.86 | PIK3CA (0.33) | PIK3CAGABRG2GABRB3GABRA2HRH3 | |
| SCHEMBL28784318 | 0.86 | SSTR2 (0.35) | PIK3CAGABRG2GABRB3GABRA2 | |
| SCHEMBL27785999 | 0.86 | HRH4 (0.32) | PIK3CABACE1GABRG2GABRB3GABRA2 | |
| SCHEMBL27786088 | 0.83 | CRHR1 (0.33) | GABRG2GABRB3GABRA2 | |
| SCHEMBL27807904 | 0.83 | PIK3CA (0.42) | PIK3CA |
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-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | disclosed |