Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19319100 | 1.00 | CYP2C9 (0.39) | CYP2C9PSMB5MEN1KMT2ACYP1A2 | |
| SCHEMBL18462936 | 0.86 | CYP2C9 (0.41) | CYP2C9MEN1KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL10067158 | 0.86 | CYP2C9 (0.41) | CYP2C9MEN1KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL20021568 | 0.78 | RIPK1 (0.40) | — | |
| SCHEMBL13154043 | 0.78 | CYP2C9 (0.43) | CYP2C9PSMB5MEN1KMT2A | |
| SCHEMBL8533308 | 0.78 | CYP2C9 (0.43) | CYP2C9PSMB5MEN1KMT2A | |
| SCHEMBL18462935 | 0.78 | CYP2C9 (0.43) | CYP2C9PSMB5MEN1KMT2ACYP1A2 | |
| SCHEMBL4195960 | 0.78 | CYP2C9 (0.43) | CYP2C9PSMB5SMN1; SMN2 | |
| SCHEMBL13122868 | 0.78 | CYP2C9 (0.43) | CYP2C9PSMB5MEN1KMT2A | |
| SCHEMBL13543178 | 0.78 | ADAM17 (0.33) | — |
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-9949956-B2 | Compounds, compositions, and methods for preventing metastasis of cancer cells | AERPIO THERAPEUTICS, INC. (US) | 2018-04-24 | — | — | US | disclosed |