Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21111873 | 0.85 | ACHE (0.43) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL21111849 | 0.82 | ACHE (0.44) | CYP3A4TDP1TSHRGAAALDH1A1 | |
| SCHEMBL21111833 | 0.82 | CA4 (0.52) | TDP1LTA4HKDM4EALDH1A1CA4 | |
| SCHEMBL21111822 | 0.80 | CYP2A6 (0.40) | CYP3A4TDP1KDM4EALDH1A1 | |
| SCHEMBL21111845 | 0.80 | TSHR (0.35) | CYP3A4TDP1TSHR | |
| SCHEMBL187947 | 0.79 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2LTA4H | |
| SCHEMBL21111817 | 0.78 | CA1 (0.44) | TDP1TSHRALDH1A1CA4 | |
| SCHEMBL21111884 | 0.78 | CA4 (0.43) | CYP3A4LTA4HTSHRKDM4EALDH1A1 | |
| SCHEMBL757106 | 0.78 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2LTA4H | |
| SCHEMBL21111750 | 0.77 | ALDH1A1 (0.34) | CYP3A4TDP1TSHRKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503639-B | Synthesis method of trans-2-substituted cycloalkyl potassium trifluoroborate | 沧州普瑞东方科技有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-109503639-B | Synthesis method of trans-2-substituted cycloalkyl potassium trifluoroborate | 沧州普瑞东方科技有限公司 | 2021-04-16 | — | — | CN | disclosed |