Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 6/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 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 | |
|---|---|---|---|---|
| SCHEMBL11239755 | 1.00 | MGLL (0.41) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL726420 | 0.90 | HSPA5 (0.38) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL28051902 | 0.81 | HSPA5 (0.38) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL10980612 | 0.80 | CPA1 (0.43) | CYP1A2ALDH1A1CPA1 | |
| SCHEMBL28960080 | 0.77 | MGLL (0.53) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL11076196 | 0.77 | MGLL (0.53) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL27686381 | 0.77 | MGLL (0.36) | MGLLALDH1A1 | |
| SCHEMBL27686233 | 0.77 | TSHR (0.40) | MGLLAKR1B1TSHR | |
| SCHEMBL5183966 | 0.76 | MGLL (0.50) | MGLLCA12CA2CA9HSPA5 | |
| SCHEMBL11557107 | 0.75 | THRA (0.36) | KDM4EHSD17B10 |
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-115260448-A | Bio-based diisocyanate, preparation method thereof and polyurethane elastomer | Evoco有限公司 | 2022-11-01 | — | — | CN | claimed |