Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | CTSL | P07711 | 9/20 | 0.42 |
| ▸ | CTSB | P07858 | 9/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 5/20 | 0.38 |
| ▸ | CTSH | P09668 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5944014 | 0.80 | CYP3A4 (0.39) | CTSKCTSSKDM4EALDH1A1POLB | |
| SCHEMBL387110 | 0.74 | GPR119 (0.56) | CTSKCTSSCTSLCTSBCTSC | |
| SCHEMBL25127288 | 0.73 | CTSK (0.47) | CTSKCTSSCTSLCTSBCTSC | |
| SCHEMBL3897140 | 0.73 | CYP2D6 (0.44) | KDM4EALDH1A1POLBCYP2D6CYP3A4 | |
| SCHEMBL15135177 | 0.72 | — | — | |
| SCHEMBL15135179 | 0.72 | — | — | |
| SCHEMBL17419164 | 0.71 | POLB (0.50) | KDM4EALDH1A1POLBCYP2D6 | |
| SCHEMBL1184718 | 0.70 | — | — | |
| SCHEMBL1183640 | 0.70 | — | — | |
| SCHEMBL220279 | 0.70 | — | — |
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 |