Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 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 | |
|---|---|---|---|---|
| SCHEMBL16267600 | 1.00 | ACE (0.43) | ACEPOLBTDP1AGTR2ABHD6 | |
| SCHEMBL16271276 | 0.90 | CYP19A1 (0.41) | AGTR2ABHD6 | |
| SCHEMBL31652041 | 0.90 | CYP19A1 (0.41) | AGTR2ABHD6 | |
| SCHEMBL9849174 | 0.90 | CYP19A1 (0.41) | AGTR2ABHD6 | |
| SCHEMBL29570670 | 0.90 | CYP19A1 (0.41) | AGTR2ABHD6 | |
| SCHEMBL16267710 | 0.85 | POLB (0.43) | ACEPOLBTDP1AGTR2ABHD6 | |
| SCHEMBL9849125 | 0.85 | POLB (0.43) | ACEPOLBTDP1AGTR2ABHD6 | |
| SCHEMBL32676636 | 0.81 | CYP19A1 (0.45) | AGTR2ABHD6 | |
| SCHEMBL20483181 | 0.81 | PTPN1 (0.53) | ABHD6 | |
| SCHEMBL32676746 | 0.81 | CYP19A1 (0.45) | AGTR2ABHD6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111971282-B | Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators | 伊莱利利公司 | 2024-03-19 | — | — | CN | disclosed |