Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16933753 | 0.80 | CYP1A2 (0.52) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7394253 | 0.79 | CTNNB1 (0.54) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL1041345 | 0.77 | CTNNB1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8377380 | 0.77 | TDP1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL15750884 | 0.77 | CTNNB1 (0.57) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7402726 | 0.77 | CTNNB1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL10355407 | 0.77 | CTNNB1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6445099 | 0.77 | CTNNB1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL12532092 | 0.77 | CTNNB1 (0.53) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL2331835 | 0.77 | CYP1A2 (0.50) | CTNNB1TDP1CYP1A2CYP2C19CYP2C9 |
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-4317832-A | ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AGENTS | KLINGLER KARL HEINZ | 1982-03-02 | — | — | US | disclosed |