Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.30 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRND | Q07001 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27875300 | 0.86 | DRD2 (0.42) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL27901800 | 0.83 | CHRNB2 (0.43) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL30435099 | 0.74 | CYP2D6 (0.38) | DRD2DRD1CHRNB2CHRNA4 | |
| SCHEMBL27919615 | 0.73 | CHRNB2 (0.43) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL3411216 | 0.73 | DRD2 (0.44) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL31036735 | 0.71 | DRD2 (0.43) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL13245795 | 0.70 | DRD2 (0.43) | DRD2DRD1CHRNB2CHRNA4SIGMAR1 | |
| Trimethylammonium SCHEMBL28784704 | 0.69 | ALDH1A1 (0.36) | DRD2DRD1CHRNA7 | |
| SCHEMBL28901855 | 0.69 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL27760113 | 0.69 | PNMT (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |