Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.47 |
| ▸ | CTSS | P25774 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17627333 | 0.88 | CTSK (0.47) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL24067299 | 0.88 | CTSK (0.55) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL12658511 | 0.87 | CTSK (0.50) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL22359140 | 0.87 | CTSK (0.46) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL28000286 | 0.84 | CTSK (0.52) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL21419058 | 0.84 | CTSK (0.52) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL24340590 | 0.83 | CTSK (0.48) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL14248139 | 0.82 | CTSK (0.42) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL14248067 | 0.82 | CTSK (0.42) | CTSKCTSSKMT2AMEN1GAA | |
| SCHEMBL3825684 | 0.81 | CTSS (0.67) | CTSKCTSSKMT2ACA1CA2 |
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-105646637-B | A kind of abiraterone derivative and preparation method thereof and medical usage | 四川海思科制药有限公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-106470987-A | A kind of dabigatran ester derivant and preparation method thereof and purposes pharmaceutically | 四川海思科制药有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-105646637-A | Abiraterone derivative, preparation method and medical applications thereof | 四川海思科制药有限公司 | 2016-06-08 | — | — | CN | disclosed |
| WO-2016019846-A1 | DABIGATRAN ESTER DERIVATIVE, AND METHOD FOR PREPARATION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2016-02-11 | — | — | WO | disclosed |