Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | XIAP | P98170 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 12/20 | 0.48 |
| ▸ | KDR | P35968 | 4/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.48 |
| ▸ | RAF1 | P04049 | 2/20 | 0.48 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.48 |
| ▸ | FLT4 | P35916 | 2/20 | 0.48 |
| ▸ | TEK | Q02763 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL176298 | 0.88 | EGFR (0.60) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL176203 | 0.88 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL176337 | 0.87 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL176332 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL15050601 | 0.86 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL15050597 | 0.86 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL173491 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL176377 | 0.84 | EGFR (0.61) | CYP3A4EGFRERBB2 | |
| Hydrochloric Acid SCHEMBL176692 | 0.84 | EGFR (0.55) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL176888 | 0.84 | EGFR (0.70) | CYP3A4CYP2C9CYP2C19XIAPEGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611797-A2 | QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS | Hanmi Science Co., Ltd. (KR) | 2013-07-10 | — | — | EP | claimed |
| WO-2012030160-A2 | QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS | HANMI HOLDINGS CO., LTD. (KR) | 2012-03-08 | — | — | WO | claimed |