Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.60 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1105751 | 1.00 | ACHE (0.60) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL5766167 | 1.00 | ACHE (0.60) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL28093485 | 0.98 | ACHE (0.58) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL13047218 | 0.91 | ACHE (0.53) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL20274753 | 0.86 | ACHE (0.63) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL9379752 | 0.83 | ACHE (0.50) | ACHESIGMAR1MC4R | |
| SCHEMBL31288163 | 0.81 | ACHE (0.53) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL5443180 | 0.81 | ACHE (0.51) | ACHECCR3SIGMAR1HTR2ADRD2 | |
| SCHEMBL8294589 | 0.80 | ACHE (0.53) | ACHECCR3SIGMAR1MC4R | |
| SCHEMBL5974936 | 0.79 | CCR3 (0.57) | ACHECCR3SIGMAR1HTR2ADRD2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105884781-B | Preparation method of tofacitinib citrate | 山东罗欣药业集团股份有限公司 | 2018-04-20 | — | — | CN | claimed |
| WO-2026031445-A1 | IMINE REDUCTASE MUTANT AND USE THEREOF IN PREPARATION OF TOFACITINIB CHIRAL AMINE BUILDING BLOCK | 华东理工大学 | 2026-02-12 | — | — | WO | disclosed |
| CN-118909992-A | Imine reductase mutant and application thereof in preparation of tofacitinib chiral amine building blocks | 华东理工大学 | 2024-11-08 | — | — | CN | disclosed |
| CN-118909992-A | Imine reductase mutant and application thereof in preparation of tofacitinib chiral amine building blocks | 华东理工大学 | 2024-11-08 | — | — | CN | disclosed |
| EP-2421867-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | Auspex Pharmaceuticals, Llc (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123919-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | AUSPEX PHARMACEUTICALS, LLC (US) | 2010-10-28 | — | — | WO | disclosed |