Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8681808 | 0.80 | HRH4 (0.73) | HRH4SIGMAR1DRD2DRD3 | |
| SCHEMBL8683849 | 0.75 | HRH3 (0.72) | HRH4SIGMAR1DRD2DRD3 | |
| SCHEMBL8681469 | 0.75 | SIGMAR1 (0.71) | SMN1; SMN2ALDH1A1MAPK14SIGMAR1 | |
| SCHEMBL5669818 | 0.73 | CCKAR (0.58) | NLRP3CCKBR | |
| SCHEMBL25183371 | 0.73 | HRH4 (0.66) | HRH4HDAC6DRD2DRD3 | |
| SCHEMBL6061877 | 0.73 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1SIGMAR1 | |
| SCHEMBL14188677 | 0.72 | HRH4 (0.78) | SMN1; SMN2HRH4HDAC6MAPK14SIGMAR1 | |
| SCHEMBL8889131 | 0.72 | NLRP3 (0.59) | NLRP3ALDH1A1APPMIFGSK3B | |
| SCHEMBL6630309 | 0.72 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8681674 | 0.71 | HRH4 (0.76) | SMN1; SMN2HRH4HDAC6MAPK14SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814644-A | Indole derivatives as dopamine D4 antagonists | MERCK SHARP & DOHME, LTD. (GB) | 1998-09-29 | — | — | US | disclosed |
| WO-1994024105-A1 | INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-10-27 | — | — | WO | disclosed |