Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 17/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL22498420 | 0.86 | SGMS2 (0.56) | ABCB1KCNH2SGMS2TSHR | |
| SCHEMBL5627323 | 0.84 | SGMS2 (0.55) | ABCB1SGMS2 | |
| SCHEMBL5793748 | 0.84 | ABCB1 (0.57) | ABCB1KCNH2 | |
| SCHEMBL3679181 | 0.83 | SGMS2 (0.60) | SGMS2 | |
| SCHEMBL31619332 | 0.83 | KCNH2 (0.85) | ABCB1KCNH2TSHR | |
| SCHEMBL6243854 | 0.82 | NPC1 (0.64) | SGMS2 | |
| SCHEMBL19156329 | 0.82 | SGMS2 (0.59) | SGMS2 | |
| SCHEMBL14339650 | 0.82 | SGMS2 (0.59) | SGMS2 | |
| SCHEMBL4944383 | 0.82 | NPC1 (0.60) | SGMS2 | |
| SCHEMBL2999130 | 0.82 | SGMS2 (0.59) | SGMS2 |
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-108586251-B | Preparation method of benzoyl para-difluoroalkylated derivative | 苏州大学 | 2021-01-12 | — | — | CN | disclosed |
| CN-108586251-A | A kind of preparation method of benzoyl contraposition fluoroalkyl derivative | 苏州大学 | 2018-09-28 | — | — | CN | disclosed |