Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8325161 | 0.91 | SIGMAR1 (0.56) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL8877478 | 0.90 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL4817490 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL9395129 | 0.88 | CTNNB1 (0.54) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL331127 | 0.87 | GABRA1 (0.54) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL27318580 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL5830799 | 0.86 | SIGMAR1 (0.46) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL8686986 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL10456008 | 0.85 | GABRA1 (0.52) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 | |
| SCHEMBL10456006 | 0.85 | GABRA1 (0.52) | CYP1A2CYP2C19CYP2D6CYP2C9CTNNB1 |
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-20020168543-A1 | ORGANIC ELECTROLUMINSCENT DEVICE | NEC CORPORATION (JP) | 2002-11-14 | — | — | US | disclosed |