Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | HTR2C | P28335 | 6/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | PRKX | P51817 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28438076 | 0.87 | PNMT (0.50) | PNMTHTR2CHTR2AHTR2BCHEK1 | |
| SCHEMBL2589655 | 0.75 | CD44 (0.45) | PNMTHTR2C | |
| Hydrochloric Acid SCHEMBL5849050 | 0.74 | CD44 (0.44) | PNMTHTR2C | |
| SCHEMBL31332057 | 0.70 | CHRNB2 (0.41) | HTR2CHTR2A | |
| SCHEMBL329775 | 0.67 | PNMT (1.00) | PNMTHTR2CHTR2AHTR2BASIC3 | |
| SCHEMBL532012 | 0.67 | PNMT (0.85) | PNMTHTR2CHTR2AHTR2BASIC3 | |
| SCHEMBL29587836 | 0.67 | PNMT (1.00) | PNMTHTR2CHTR2AHTR2BASIC3 | |
| SCHEMBL28445860 | 0.67 | PNMT (0.49) | PNMTHTR2CHTR2ARETGRK5 | |
| SCHEMBL31332153 | 0.67 | CHRNB2 (0.41) | HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL1124954 | 0.66 | PNMT (0.96) | PNMTHTR2CHTR2AHTR2BASIC3 |
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-111548325-A | Preparation method of halogenated benzothiazepine compound, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-111548325-A | Preparation method of halogenated benzothiazepine compound, product prepared by preparation method and application of product | 西安都创医药科技有限公司 | 2020-08-18 | — | — | CN | disclosed |