Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21491423 | 0.94 | TSHR (0.41) | CES2TSHRPAOXKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL342951 | 0.92 | KDM4E (0.41) | CES2TSHRPAOXKDM4ELMNA | |
| SCHEMBL3149738 | 0.85 | — | — | |
| SCHEMBL1038709 | 0.81 | GAA (0.44) | CES2TSHRHSD17B10MGAMGAA | |
| SCHEMBL16543622 | 0.81 | TSHR (0.39) | TSHRKDM4ELMNAHSD17B10MGAM | |
| SCHEMBL9526687 | 0.81 | TSHR (0.39) | TSHRKDM4ELMNAHSD17B10MGAM | |
| SCHEMBL12092171 | 0.81 | TSHR (0.39) | TSHRKDM4ELMNAHSD17B10MGAM | |
| SCHEMBL7051236 | 0.81 | CES2 (0.61) | CES2TSHRCYP1A2 | |
| SCHEMBL18912481 | 0.81 | TSHR (0.39) | TSHRKDM4ELMNAHSD17B10MGAM | |
| SCHEMBL6463788 | 0.79 | TSHR (0.50) | CES2TSHRKDM4ELMNAHSD17B10 |
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-113214227-A | Heterocyclic compound and application thereof | 上海青玄生物科技有限公司 | 2021-08-06 | — | — | CN | disclosed |