Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 7/20 | 0.35 |
| ▸ | CDK4 | P11802 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 SCHEMBL1736170 | 0.99 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19VDR | |
| SCHEMBL1738310 | 0.92 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 | |
| Hydrochloric Acid SCHEMBL1736913 | 0.91 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 | |
| SCHEMBL1738232 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19VDR | |
| SCHEMBL1737196 | 0.89 | MAPK13 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 | |
| Hydrochloric Acid SCHEMBL1736644 | 0.88 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19VDR | |
| Hydrochloric Acid SCHEMBL1736137 | 0.88 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 | |
| SCHEMBL1736714 | 0.88 | PDE2A (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19VDR | |
| SCHEMBL1737587 | 0.88 | SMN1; SMN2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 | |
| Hydrochloric Acid SCHEMBL1735390 | 0.87 | SMN1; SMN2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CDK4 |
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-1784404-B1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2011-11-16 | — | — | EP | claimed |
| US-20110263306-A1 | COMPUTER SYSTEM AND PROGRAM | NAMCO BANDAI GAMES INC. (JP) | 2011-10-27 | — | — | US | claimed |