Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GALK1 | P51570 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL14636032 | 0.98 | SHBG (0.41) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL7776985 | 0.86 | KDM4E (0.52) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL7775156 | 0.84 | KDM4E (0.50) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL1148861 | 0.84 | KDM4E (0.50) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| Ammonia Solution, Strong SCHEMBL342936 | 0.82 | KDM4E (0.48) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL170903 | 0.78 | KDM4E (0.43) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL23375445 | 0.77 | SHBG (0.41) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL9885785 | 0.77 | SHBG (0.41) | KDM4ESHBGSLC6A4EPHX1ADRB2 | |
| SCHEMBL17336283 | 0.77 | KDM4E (0.44) | KDM4ESHBGSLC6A4EPHX1MEN1 | |
| SCHEMBL19367079 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083855-B | Purine derivatives useful as Hsp90 inhibitors | 斯隆-凯特林癌症研究院 | 2020-04-10 | — | — | CN | disclosed |