Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 5/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30206342 | 0.84 | KCNH2 (0.38) | DAOHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL1205827 | 0.79 | PDE1B (0.42) | NOS3NOS1NOS2DAOKCNH2 | |
| SCHEMBL8015584 | 0.78 | NOS3 (0.47) | NOS3NOS1NOS2DAOSORT1 | |
| SCHEMBL14261205 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28602180 | 0.76 | PDE1B (0.40) | NOS3NOS1NOS2DAOHTR1A | |
| SCHEMBL23000250 | 0.76 | HCAR2 (0.45) | DAOHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL8720555 | 0.75 | — | — | |
| SCHEMBL8720541 | 0.75 | — | — | |
| SCHEMBL5336589 | 0.75 | — | — | |
| SCHEMBL20599425 | 0.74 | NOS3 (0.37) | NOS3NOS1NOS2DAOSORT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9758487-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |