Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103958 | 1.00 | PROKR1 (0.36) | PROKR1HDAC4CYP11B1CYP11B2DRD2 | |
| SCHEMBL7101655 | 0.82 | RIPK1 (0.38) | HDAC4 | |
| SCHEMBL7103719 | 0.82 | RIPK1 (0.38) | HDAC4 | |
| SCHEMBL7097543 | 0.77 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7487273 | 0.77 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7101838 | 0.76 | CHRNB4 (0.39) | DRD2CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7101149 | 0.76 | CHRNA3 (0.54) | DRD2CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7102542 | 0.76 | CHRNB4 (0.39) | DRD2CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7099212 | 0.76 | CHRNA3 (0.54) | DRD2CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7098415 | 0.74 | JAK2 (0.37) | HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |