Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | FABP4 | P15090 | 1/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
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 SCHEMBL5810810 | 0.99 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5808377 | 0.81 | HTT (0.42) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL1736572 | 0.79 | FABP4 (0.44) | SMN1; SMN2ALDH1A1NPSR1FABP4NPC1 | |
| Hydrochloric Acid SCHEMBL3186150 | 0.79 | FABP4 (0.44) | SMN1; SMN2ALDH1A1NPSR1FABP4NPC1 | |
| Hydrochloric Acid SCHEMBL1738473 | 0.76 | WNT3A (0.41) | ALDH1A1FABP4NPC1RAB9AMEN1 | |
| SCHEMBL1736036 | 0.75 | MCL1 (0.53) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL1738734 | 0.74 | MCL1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5808666 | 0.74 | CYP1A2 (0.39) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1738562 | 0.74 | MEN1 (0.47) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL1738613 | 0.74 | FABP4 (0.47) | SMN1; SMN2ALDH1A1NPSR1FABP4GAA |
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 | disclosed |