Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | XIAP | P98170 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 12/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.44 |
| ▸ | ERBB4 | Q15303 | 6/20 | 0.44 |
| ▸ | JAK3 | P52333 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 SCHEMBL173681 | 0.99 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL170945 | 0.95 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL173786 | 0.93 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL170502 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL15051187 | 0.90 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL173674 | 0.90 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL15050539 | 0.89 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| Hydrochloric Acid SCHEMBL168317 | 0.89 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL173539 | 0.88 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19XIAPEGFR | |
| SCHEMBL173481 | 0.88 | CYP3A4 (0.57) | 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 | disclosed |
| WO-2012030160-A2 | QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS | HANMI HOLDINGS CO., LTD. (KR) | 2012-03-08 | — | — | WO | disclosed |