Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | P2RX7 | Q99572 | 12/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28188335 | 0.87 | P2RX7 (0.49) | P2RX7 | |
| SCHEMBL28449465 | 0.87 | ALDH1A1 (0.46) | ALDH1A1TSHRP2RX7KCNN4 | |
| SCHEMBL28452138 | 0.83 | KCNN4 (0.41) | ALDH1A1TSHRKCNN4 | |
| SCHEMBL28189001 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRP2RX7KCNN4 | |
| SCHEMBL28188353 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRP2RX7KCNN4 | |
| SCHEMBL28458370 | 0.79 | P2RX7 (0.42) | P2RX7KCNN4 | |
| SCHEMBL28449974 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TSHRP2RX7KCNN4RECQL | |
| SCHEMBL28188962 | 0.76 | P2RX7 (0.50) | ALDH1A1P2RX7KCNN4 | |
| SCHEMBL28449448 | 0.75 | L3MBTL1 (0.57) | — | |
| SCHEMBL28188978 | 0.75 | KCNN4 (0.39) | ALDH1A1P2RX7KCNN4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501198-B | Sulfoxide tetrazole derivative and preparation method and application thereof | 南京农业大学 | 2020-08-18 | — | — | CN | claimed |
| CN-107501198-A | Sulfoxide tetranitroazole derivative and preparation method and application | 南京农业大学 | 2017-12-22 | — | — | CN | claimed |
| CN-107501198-B | Sulfoxide tetrazole derivative and preparation method and application thereof | 南京农业大学 | 2020-08-18 | — | — | CN | disclosed |