Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 7/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL8020739 | 0.84 | GAA (0.35) | KDM4EALDH1A1MEN1POLBMAPT | |
| SCHEMBL2453608 | 0.84 | POLB (0.41) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL8215092 | 0.80 | CA2 (0.42) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL1806651 | 0.80 | KDM4E (0.41) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL28116030 | 0.80 | TAAR1 (0.56) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL38652325 | 0.79 | PTGES2 (0.41) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL20478179 | 0.79 | TAAR1 (0.42) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL30239066 | 0.79 | PTGES2 (0.42) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL6712202 | 0.79 | KDM4E (0.41) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL1806652 | 0.79 | CA2 (0.41) | PTGES2CA1CA2CA9CA12 |
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-115557893-A | Preparation method of sulfonyl-substituted 8-membered benzo [ b ] azepine Xin Huanhua compound | 烟台大学 | 2023-01-03 | — | — | CN | claimed |
| CN-115557893-A | Preparation method of sulfonyl-substituted 8-membered benzo [ b ] azepine Xin Huanhua compound | 烟台大学 | 2023-01-03 | — | — | CN | disclosed |