Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 16/20 | 0.62 |
| ▸ | BRD4 | O60885 | 2/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787151 | 0.86 | GLS (0.58) | GLSBRD4KDM4ACREBBP | |
| SCHEMBL13853709 | 0.86 | GLS (0.53) | GLSBRD4KDM4ACREBBPCYP3A4 | |
| SCHEMBL16181822 | 0.86 | GLS (0.55) | GLSBRD4KDM4ACREBBPCYP3A4 | |
| SCHEMBL14986954 | 0.85 | GLS (0.57) | GLSBRD4KDM4ACREBBP | |
| SCHEMBL8786913 | 0.85 | GLS (0.57) | GLSBRD4KDM4ACREBBP | |
| SCHEMBL27113182 | 0.84 | GLS (0.54) | GLSBRD4KDM4ACREBBPCYP3A4 | |
| SCHEMBL15782622 | 0.84 | GLS (0.69) | GLSBRD4KDM4ACREBBP | |
| SCHEMBL13981921 | 0.83 | GLS (0.55) | GLSBRD4KDM4ACREBBPCYP3A4 | |
| SCHEMBL30069429 | 0.83 | GLS (0.55) | GLSBRD4KDM4ACREBBPCYP3A4 | |
| SCHEMBL8342682 | 0.83 | GLS (0.55) | GLSBRD4KDM4ACREBBP |
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-107849044-A | Thriazaspiro last of the ten Heavenly stems ketone compounds as DDR1 inhibitor | 豪夫迈·罗氏有限公司 | 2018-03-27 | — | — | CN | disclosed |