Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 9/20 | 0.36 |
| ▸ | CTSS | P25774 | 7/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL4911352 | 0.89 | TDP1 (0.53) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL9067717 | 0.89 | TDP1 (0.53) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL28168389 | 0.85 | NAALAD2 (0.43) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL2258655 | 0.85 | DGAT1 (0.44) | TDP1MEN1GAAKMT2ACTSK | |
| SCHEMBL2258658 | 0.85 | DGAT1 (0.44) | TDP1MEN1GAAKMT2ACTSK | |
| SCHEMBL2129742 | 0.85 | TDP1 (0.42) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL201901 | 0.85 | TDP1 (0.42) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL1486204 | 0.85 | TDP1 (0.42) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL15619294 | 0.84 | NAALAD2 (0.42) | TDP1NAALAD2MEN1GAAKMT2A | |
| SCHEMBL8971824 | 0.84 | NAALAD2 (0.65) | TDP1NAALAD2MEN1GAAKMT2A |
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-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-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 |