Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | AQP1 | P29972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | FOS | P01100 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | FGF23 | Q9GZV9 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28448553 | 1.00 | CA1 (0.41) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL82199 | 0.67 | CYP3A4 (0.52) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL82198 | 0.67 | CYP3A4 (0.52) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL318785 | 0.67 | NFE2L2 (0.74) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305580 | 0.67 | NFE2L2 (0.74) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL318786 | 0.67 | NFE2L2 (0.74) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1793692 | 0.67 | NFE2L2 (0.74) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305582 | 0.67 | NFE2L2 (0.74) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL15096128 | 0.66 | NFE2L2 (0.52) | CA1NFE2L2PTGS1PTGS2ALOX5 | |
| SCHEMBL5808056 | 0.64 | CA1 (0.47) | CA1NFE2L2PTGS1PTGS2ALOX5 |
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-107473941-B | Cyclopropyl substituted allyl alcohol and asymmetric synthesis method thereof | 三峡大学 | 2020-05-26 | — | — | CN | disclosed |