Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20006164 | 1.00 | CHRNA1 (0.33) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| Hydrochloric Acid SCHEMBL21527799 | 0.98 | CHRNA1 (0.32) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| Hydrochloric Acid SCHEMBL19995573 | 0.98 | CHRNA1 (0.32) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL20005948 | 0.76 | CHRNA1 (0.35) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23220362 | 0.73 | CHRNA1 (0.37) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL20006207 | 0.72 | BACE1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL21527942 | 0.72 | PSEN1 (0.33) | — | |
| SCHEMBL21136404 | 0.68 | MCHR1 (0.32) | — | |
| SCHEMBL19995588 | 0.62 | LIG1 (0.33) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL20005811 | 0.62 | LIG1 (0.33) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 |
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-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |