Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 SCHEMBL1736644 | 0.99 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| SCHEMBL1738310 | 0.91 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| SCHEMBL1738588 | 0.91 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| Hydrochloric Acid SCHEMBL1736913 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| Hydrochloric Acid SCHEMBL1735323 | 0.90 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| SCHEMBL1737247 | 0.90 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| SCHEMBL1738138 | 0.89 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| Hydrochloric Acid SCHEMBL1737762 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| Hydrochloric Acid SCHEMBL1736170 | 0.89 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK14 | |
| SCHEMBL1737125 | 0.88 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19CYP2C9EIF2AK2 |
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 |