Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25346203 | 0.79 | SMN1; SMN2 (0.33) | CYP3A4GAACYP2C19 | |
| SCHEMBL2419398 | 0.78 | CYP3A4 (0.43) | CYP3A4GAACYP2C19 | |
| SCHEMBL17387673 | 0.78 | CYP3A4 (0.43) | CYP3A4GAACYP2C19 | |
| SCHEMBL4712988 | 0.75 | SMN1; SMN2 (0.46) | CYP3A4GAACYP2C19 | |
| SCHEMBL24741970 | 0.75 | NPC1 (0.50) | CYP3A4GAACYP2C19 | |
| SCHEMBL25221931 | 0.75 | SMN1; SMN2 (0.34) | CYP3A4GAACYP2C19 | |
| SCHEMBL22287076 | 0.75 | SMN1; SMN2 (0.34) | CYP3A4GAACYP2C19 | |
| SCHEMBL24742033 | 0.74 | CYP3A4 (0.36) | CYP3A4GAACYP2C19 | |
| SCHEMBL24741784 | 0.72 | CYP3A4 (0.38) | CYP3A4GAACYP2C19 | |
| SCHEMBL25348163 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |