Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RYR2 | Q92736 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 5/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | PNMT | P11086 | 4/20 | 0.47 |
| ▸ | CD44 | P16070 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14691708 | 0.79 | RYR2 (0.53) | RYR2HTR2CHTR2AHTR2BPNMT | |
| SCHEMBL18152231 | 0.75 | RYR2 (0.49) | RYR2HTR2CHTR2AHTR2BPNMT | |
| SCHEMBL8901220 | 0.72 | ADRA2A (0.38) | HTR2CHTR2AHTR2BPNMTADRA2A | |
| SCHEMBL7554455 | 0.71 | RYR2 (0.53) | RYR2HTR2CHTR2AHTR2BPNMT | |
| Hydrochloric Acid SCHEMBL8528183 | 0.70 | RYR2 (0.51) | RYR2HTR2CHTR2AHTR2BPNMT | |
| SCHEMBL2589907 | 0.69 | RYR2 (1.00) | RYR2HTR2CPNMTCD44MAOB | |
| SCHEMBL2750868 | 0.68 | PNMT (0.72) | HTR2CHTR2AHTR2BPNMTCD44 | |
| SCHEMBL30199571 | 0.68 | PNMT (0.72) | HTR2CHTR2AHTR2BPNMTCD44 | |
| Hydrochloric Acid SCHEMBL5849939 | 0.68 | RYR2 (0.96) | RYR2HTR2CPNMTCD44MAOB | |
| SCHEMBL3153883 | 0.68 | RYR2 (0.44) | RYR2PNMT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111574475-B | Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-111574475-A | Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2020-08-25 | — | — | CN | claimed |
| CN-111574475-B | Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-111574475-A | Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2020-08-25 | — | — | CN | disclosed |