Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CIT | O14578 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
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 SCHEMBL3191891 | 0.99 | KCNH3 (0.39) | ROCK2KCNH3DYRK1ACITEGFR | |
| SCHEMBL1737247 | 0.89 | CYP1A2 (0.38) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL1735323 | 0.89 | CYP1A2 (0.38) | ROCK2DYRK1AEGFRCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1737762 | 0.88 | CYP1A2 (0.38) | KCNH3EGFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1738232 | 0.86 | CYP1A2 (0.38) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL1736644 | 0.85 | CYP1A2 (0.38) | KCNH3EGFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1738310 | 0.82 | CYP1A2 (0.36) | KCNH3EGFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1737196 | 0.82 | MAPK13 (0.35) | EGFRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1737967 | 0.82 | ROCK2 (0.38) | ROCK2DYRK1AMAOBCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1736913 | 0.81 | CYP1A2 (0.35) | KCNH3EGFRCYP1A2CYP3A4CYP2C9 |
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 |