Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL779591 | 0.88 | POLB (0.46) | CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL780513 | 0.83 | CHRNA7 (0.56) | CHRNA7 | |
| Hydrochloric Acid SCHEMBL780118 | 0.82 | — | — | |
| SCHEMBL3930902 | 0.82 | NPSR1 (0.48) | DRD2DRD3CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL4010198 | 0.82 | CHRNA1 (0.41) | DRD2DRD3CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL3934162 | 0.80 | CHRNA7 (0.46) | CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3933157 | 0.79 | CHRNA1 (0.40) | DRD2DRD3CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL3930577 | 0.79 | CHRNA1 (0.40) | DRD2DRD3CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL4170987 | 0.78 | ALDH1A1 (0.46) | CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL799966 | 0.78 | POLB (0.41) | — |
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-2044038-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | Cornerstone Therapeutics Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146066-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | CRITICAL THERAPEUTICS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |