Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4746719 | 0.81 | CYP3A4 (0.34) | ERN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1591447 | 0.81 | PRKDC (0.32) | PRKDCERN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31393240 | 0.81 | PRKDC (0.32) | PRKDCERN1AR | |
| SCHEMBL22804569 | 0.81 | MEN1 (0.33) | PRKDCERN1 | |
| SCHEMBL24499756 | 0.78 | KIF11 (0.33) | PRKDCAR | |
| SCHEMBL29596950 | 0.78 | KIF11 (0.33) | PRKDCAR | |
| SCHEMBL26643534 | 0.78 | LMNA (0.31) | PRKDCLMNA | |
| SCHEMBL19551990 | 0.76 | ERN1 (0.44) | ERN1CYP3A4AR | |
| SCHEMBL26077753 | 0.76 | CA1 (0.44) | ERN1 | |
| SCHEMBL23802693 | 0.76 | ERN1 (0.36) | PRKDCERN1ARLMNA |
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-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |