Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21659359 | 0.80 | CHRNB2 (0.51) | CHRNB2CHRNA4ADRB1 | |
| Hydrochloric Acid SCHEMBL23855521 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA4ADRB1 | |
| SCHEMBL2766132 | 0.79 | ADRB1 (0.56) | CHRNB2CHRNA4MAPTADRB1HTR6 | |
| SCHEMBL5231793 | 0.78 | CHRNB2 (0.50) | CHRNB2CHRNA4ADRB1HTR6 | |
| SCHEMBL5659996 | 0.78 | CHRNB2 (0.73) | CHRNB2CHRNA4 | |
| SCHEMBL8097421 | 0.78 | ACACB (0.46) | MAPT | |
| SCHEMBL1599427 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA4MAPTADRB1 | |
| SCHEMBL8106637 | 0.78 | CHRNB2 (0.52) | CHRNB2CHRNA4MAPTADRB1 | |
| SCHEMBL5238114 | 0.77 | ADRB1 (0.58) | CHRNB2CHRNA4MAPTADRB1CACNA2D1 | |
| SCHEMBL5238705 | 0.77 | ADRB1 (0.63) | CHRNB2CHRNA4ADRB1HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019073251-A1 | LYSYL OXIDASE INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2019-04-18 | — | — | WO | disclosed |