Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | KIT | P10721 | 3/20 | 0.48 |
| ▸ | RET | P07949 | 4/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | KIF5B | P33176 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | GAK | O14976 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | STK10 | O94804 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.44 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4726982 | 0.88 | KIT (0.59) | EGFRKITRETKDRATM | |
| SCHEMBL4725216 | 0.87 | EGFR (0.58) | EGFRKITRETKDRKIF5B | |
| SCHEMBL4727998 | 0.82 | EGFR (0.58) | EGFRKITRETKDRKIF5B | |
| SCHEMBL31469398 | 0.80 | BRAF (0.47) | EGFRKITATM | |
| SCHEMBL30393169 | 0.80 | ABCG2 (0.57) | EGFRKITKDRFLT3AURKB | |
| SCHEMBL4778871 | 0.79 | PDK1 (0.49) | EGFRKITATMPDK1ENPP1 | |
| SCHEMBL6180664 | 0.78 | KIT (0.61) | EGFRKITRETKDRKIF5B | |
| Hydrochloric Acid SCHEMBL6180673 | 0.77 | EGFR (0.61) | EGFRKITRETKDRKIF5B | |
| SCHEMBL26101620 | 0.77 | KIT (0.46) | EGFRKITRETKDRKIF5B | |
| SCHEMBL30393934 | 0.77 | HSD17B2 (0.53) | EGFRKITKDRAURKBENPP1 |
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-2008020302-A2 | HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | WO | disclosed |