Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25005212 | 0.82 | — | — | |
| SCHEMBL2406899 | 0.81 | EPHX1 (0.42) | — | |
| SCHEMBL10774182 | 0.81 | EPHX1 (0.42) | — | |
| SCHEMBL330327 | 0.79 | — | — | |
| SCHEMBL330317 | 0.79 | SIGMAR1 (0.43) | SIGMAR1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL13381422 | 0.79 | SIGMAR1 (0.43) | SIGMAR1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL19710838 | 0.79 | SIGMAR1 (0.52) | SIGMAR1 | |
| SCHEMBL13269947 | 0.79 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL5604360 | 0.78 | CYP1A2 (0.43) | — | |
| SCHEMBL21137822 | 0.78 | CYP1A2 (0.36) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210054374-A1 | ANTITUMOR COMPOUNDS AND TUMOR DIAGNOSIS | CBMED GMBH CENTER FOR BIOMARKER RESEARCH IN MEDICINE (AT) | 2021-02-25 | — | — | US | disclosed |