Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
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 SCHEMBL5808377 | 0.90 | HTT (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL2474644 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL5806504 | 0.74 | SMN1; SMN2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| Hydrochloric Acid SCHEMBL5810810 | 0.73 | SMN1; SMN2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL1737106 | 0.65 | ACHE (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA3 | |
| Hydrochloric Acid SCHEMBL1738610 | 0.61 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL1737399 | 0.61 | ACHE (0.39) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1737857 | 0.60 | ACHE (0.38) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5806052 | 0.60 | GRM2 (0.42) | — | |
| SCHEMBL1738139 | 0.59 | ACHE (0.37) | CYP1A2CYP2C9CYP2C19NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006025717-A1 | PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORPORATION (KR) | 2006-03-09 | — | — | WO | claimed |