Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28563667 | 0.96 | TAAR1 (0.52) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL17070211 | 0.95 | TAAR1 (0.50) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL28560659 | 0.93 | TAAR1 (0.55) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL10091176 | 0.85 | TAAR1 (0.47) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL17147804 | 0.83 | HSP90AA1 (0.41) | ESR2CYP3A4NPC1RAB9ATNKS2 | |
| SCHEMBL24990164 | 0.81 | TAAR1 (0.50) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL16978438 | 0.79 | HSP90AA1 (0.45) | CYP3A4NPC1RAB9ATNKS2 | |
| SCHEMBL353609 | 0.79 | HDAC4 (0.47) | TAAR1CYP3A4NPC1 | |
| SCHEMBL5166959 | 0.79 | CYP2C9 (0.48) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL5166964 | 0.79 | CYP2C9 (0.48) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 |
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-108178720-B | Synthetic method of 4-cyclobutyl biphenyl fluorine-containing compound | 山东盛华新材料科技股份有限公司 | 2021-04-13 | — | — | CN | disclosed |