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 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 SCHEMBL1737512 | 0.99 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL1739718 | 0.93 | CSF1R (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19CSF1R | |
| Hydrochloric Acid SCHEMBL1738258 | 0.92 | CSF1R (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19CSF1R | |
| SCHEMBL1737675 | 0.91 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1737714 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL1737967 | 0.90 | ROCK2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL1736209 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CCNB2 | |
| Hydrochloric Acid SCHEMBL1737948 | 0.89 | ROCK2 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| Hydrochloric Acid SCHEMBL1739134 | 0.89 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CCNB2 | |
| SCHEMBL1737590 | 0.88 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19CCNB2 |
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 |