Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 2/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604760 | 0.76 | CPN1 (0.48) | CPN1CPB2SLC6A1SLC6A11TSHR | |
| SCHEMBL7881656 | 0.76 | — | — | |
| SCHEMBL7893167 | 0.76 | — | — | |
| SCHEMBL27702216 | 0.76 | CPN1 (0.39) | CPN1CPB2DRD2DRD3SLC6A1 | |
| SCHEMBL4683701 | 0.76 | CPN1 (0.42) | CPN1CPB2DRD2DRD3SLC6A1 | |
| SCHEMBL8019227 | 0.75 | — | — | |
| SCHEMBL8022118 | 0.75 | — | — | |
| SCHEMBL26999467 | 0.75 | — | — | |
| SCHEMBL26999468 | 0.75 | — | — | |
| SCHEMBL19815848 | 0.74 | CPN1 (0.53) | CPN1CPB2SLC6A1SLC6A11TSHR |
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-108484609-A | A kind of preparation and application of novel purine analogue jak kinase inhibitor | 中国药科大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-108329321-A | A kind of preparation and application of novel pyrazolo ［ 3,4-d ］ miazines jak kinase inhibitor | 中国药科大学 | 2018-07-27 | — | — | CN | disclosed |