Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 8/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1473424 | 0.81 | QDPR (0.61) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 | |
| SCHEMBL22537843 | 0.79 | HRH3 (0.55) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 | |
| SCHEMBL13589641 | 0.79 | HRH3 (0.57) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 | |
| SCHEMBL4053721 | 0.79 | DRD2 (0.55) | SLC18A3DRD2SMN1; SMN2CYP2D6TSHR | |
| SCHEMBL13182918 | 0.78 | NPC1 (0.59) | KCNH2HRH3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL13328860 | 0.77 | RIPK1 (0.58) | KCNH2HRH3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1531725 | 0.77 | KCNH2 (0.59) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 | |
| SCHEMBL27888979 | 0.77 | KCNH2 (0.73) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 | |
| SCHEMBL19139666 | 0.76 | KCNH2 (0.42) | KCNH2HRH3SLC18A3DRD2SMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL27863722 | 0.76 | KCNH2 (0.58) | KCNH2HRH3SLC18A3SMN1; SMN2NPC1 |
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-1968954-A | Thienopyridine Derivatives | SANKYO CO (JP) | 2007-05-23 | — | — | CN | disclosed |