Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21527841 | 1.00 | SLC6A2 (0.31) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL20005811 | 0.75 | LIG1 (0.33) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL19995588 | 0.75 | LIG1 (0.33) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL21527941 | 0.74 | SLC6A2 (0.54) | SLC6A2SLC6A3SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL19995623 | 0.74 | SLC6A2 (0.54) | SLC6A2SLC6A3SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL20005942 | 0.74 | SLC6A2 (0.54) | SLC6A2SLC6A3SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL25635548 | 0.73 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL13382379 | 0.73 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL13621242 | 0.73 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21527837 | 0.67 | HCAR3 (0.31) | — |
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 |