Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 SCHEMBL1737723 | 0.99 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1737582 | 0.90 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL1737644 | 0.89 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1735567 | 0.88 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1738901 | 0.87 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL1739314 | 0.86 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1737147 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL1736209 | 0.84 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1739134 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL1737131 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E |
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 |