Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | ABL2 | P42684 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 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 SCHEMBL1735323 | 0.99 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL1737247 | 0.93 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| Hydrochloric Acid SCHEMBL1737762 | 0.92 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL1738232 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| Hydrochloric Acid SCHEMBL1736644 | 0.90 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL1736205 | 0.89 | ROCK2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| Hydrochloric Acid SCHEMBL3191891 | 0.89 | KCNH3 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL1738310 | 0.86 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL1737196 | 0.86 | MAPK13 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR | |
| Hydrochloric Acid SCHEMBL1736913 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19EGFR |
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 |