Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 16/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL384337 | 0.79 | PTGS2 (0.58) | ENPP2PTGS2ESR1ESR2 | |
| SCHEMBL903934 | 0.76 | KIF11 (0.58) | ENPP2PTGS2KIF11 | |
| SCHEMBL28374796 | 0.76 | ESR1 (0.67) | KIF11ESR1ESR2 | |
| SCHEMBL16982125 | 0.76 | ESR1 (0.67) | KIF11ESR1ESR2 | |
| SCHEMBL386673 | 0.75 | KIF11 (0.61) | ENPP2PTGS2KIF11ESR1ESR2 | |
| SCHEMBL17775110 | 0.75 | ESR1 (0.55) | PTGS2ESR1ESR2 | |
| SCHEMBL16582458 | 0.74 | ESR1 (0.59) | ESR1ESR2 | |
| SCHEMBL388018 | 0.74 | ENPP2 (0.86) | ENPP2PTGS2ESR1ESR2 | |
| SCHEMBL30604305 | 0.72 | PTGS2 (0.60) | PTGS2 | |
| SCHEMBL386705 | 0.72 | ENPP2 (0.55) | ENPP2PTGS2 |
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-102639500-A | Tricyclic compound, preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-08-15 | — | — | CN | disclosed |
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |