Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HMGCR | P04035 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15853319 | 0.78 | ALDH1A1 (0.33) | POLBTDP1ALDH1A1 | |
| SCHEMBL12384266 | 0.76 | HSD11B1 (0.45) | HSD11B1 | |
| Ammonia Solution, Strong SCHEMBL28327678 | 0.74 | HSD11B1 (0.44) | HSD11B1 | |
| SCHEMBL7267076 | 0.74 | APEX1 (0.52) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL11502274 | 0.72 | POLB (0.48) | POLBCYP2C19APEX1ALDH1A1CA1 | |
| SCHEMBL11486883 | 0.72 | TSHR (0.42) | POLBTSHRKDM4ECA12CA1 | |
| SCHEMBL1642297 | 0.69 | — | — | |
| Malonic Acid SCHEMBL28314480 | 0.67 | LDHA (0.60) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL3116633 | 0.67 | — | — | |
| SCHEMBL190142 | 0.67 | — | — |
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-111704600-A | Z-olefin-containing tert-butyl sulfonyl substituted 9-10-membered ring compound and synthesis method thereof | 扬州大学 | 2020-09-25 | — | — | CN | claimed |
| CN-111704600-A | Z-olefin-containing tert-butyl sulfonyl substituted 9-10-membered ring compound and synthesis method thereof | 扬州大学 | 2020-09-25 | — | — | CN | disclosed |