Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27150504 | 0.80 | MAPK1 (0.39) | TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL654959 | 0.72 | ALDH1A1 (0.45) | AKR1B1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL10702809 | 0.70 | HTR2A (0.55) | VCAM1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL8646022 | 0.70 | ALDH1A1 (0.62) | AKR1B1VCAM1TSHRMAPK1ALDH1A1 | |
| SCHEMBL24039926 | 0.70 | HTR2A (0.51) | VCAM1MAPK1ALDH1A1HTR2AHTR2C | |
| SCHEMBL20214612 | 0.70 | HTR2A (0.51) | VCAM1MAPK1ALDH1A1HTR2AHTR2C | |
| SCHEMBL14993476 | 0.70 | LRRK2 (0.42) | AKR1B1VCAM1TSHRMAPK1ALDH1A1 | |
| SCHEMBL31726573 | 0.69 | AHR (0.47) | AKR1B1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL8647059 | 0.69 | AHR (0.47) | AKR1B1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL22271646 | 0.68 | TSHR (0.46) | VCAM1TSHRMAPK1ALDH1A1CYP3A4 |
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-114716382-B | Continuous flow synthesis process of Ensifelvir intermediate of anti-new crown drug | 拓信达(启东)医药生物科技有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-114716382-A | Continuous flow synthesis process of anti-neocoronal drug Ensittrelvir intermediate | 拓信达(启东)医药生物科技有限公司 | 2022-07-08 | — | — | CN | claimed |
| CN-114716382-B | Continuous flow synthesis process of Ensifelvir intermediate of anti-new crown drug | 拓信达(启东)医药生物科技有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-114716382-A | Continuous flow synthesis process of anti-neocoronal drug Ensittrelvir intermediate | 拓信达(启东)医药生物科技有限公司 | 2022-07-08 | — | — | CN | disclosed |