Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 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 SCHEMBL5808648 | 0.99 | ACHE (0.42) | ACHECYP1A2CYP3A4CYP2D6TRPA1 | |
| SCHEMBL5805974 | 0.85 | TRPA1 (0.42) | CYP1A2CYP3A4CYP2D6TRPA1CYP2C19 | |
| SCHEMBL5806319 | 0.85 | CYP1A2 (0.48) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5810291 | 0.84 | TRPA1 (0.41) | CYP1A2CYP3A4CYP2D6TRPA1CYP2C19 | |
| Hydrochloric Acid SCHEMBL5809238 | 0.84 | CYP1A2 (0.47) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1737428 | 0.84 | ACHE (0.42) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5806304 | 0.83 | TRPA1 (0.41) | CYP1A2CYP3A4CYP2D6TRPA1CYP2C19 | |
| SCHEMBL5807848 | 0.83 | TRPA1 (0.41) | CYP1A2CYP3A4CYP2D6TRPA1CYP2C19 | |
| Hydrochloric Acid SCHEMBL5809072 | 0.83 | CYP1A2 (0.38) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL1735483 | 0.83 | ACHE (0.42) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 |
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 |