Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10580220 | 0.98 | KCNH2 (0.53) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL13069316 | 0.85 | KDM4E (0.44) | KCNH2CYP3A4KDM4EALDH1A1LMNA | |
| Ammonia Solution, Strong SCHEMBL28527210 | 0.79 | KCNH2 (0.56) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL899234 | 0.78 | KCNH2 (0.55) | KCNH2KDM4ETDP1L3MBTL1PDPK1 | |
| SCHEMBL11561943 | 0.78 | KCNH2 (0.55) | KCNH2KDM4EALDH1A1MIFTDP1 | |
| SCHEMBL2633110 | 0.77 | — | — | |
| SCHEMBL17053275 | 0.76 | KCNH2 (0.58) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL27977748 | 0.76 | KCNH2 (0.58) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL22298878 | 0.76 | KCNH2 (0.58) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL3248683 | 0.76 | KCNH2 (0.53) | KCNH2KDM4EALDH1A1HSD17B10PDPK1 |
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-106029644-A | Thiopyranose compound and method for producing same | 富士胶片株式会社 | 2016-10-12 | — | — | CN | disclosed |