Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 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 | |
|---|---|---|---|---|
| SCHEMBL574082 | 0.71 | NPC1 (0.45) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL17045459 | 0.69 | PKM (0.44) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL174681 | 0.69 | SMN1; SMN2 (0.44) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL4138174 | 0.68 | NPC1 (0.40) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL596225 | 0.67 | SMN1; SMN2 (0.41) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL15283440 | 0.67 | NPC1 (0.41) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL17387673 | 0.67 | CYP3A4 (0.43) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL18693671 | 0.66 | NPC1 (0.47) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL3939169 | 0.65 | NPC1 (0.56) | NPC1LMNATP53PKMRAB9A | |
| SCHEMBL23804796 | 0.65 | NPC1 (0.37) | NPC1LMNATP53PKMRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4050012-A1 | PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2022-08-31 | — | — | EP | disclosed |
| EP-4019508-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2022-06-29 | — | — | EP | disclosed |
| EP-3521288-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2019-08-07 | — | — | EP | disclosed |
| EP-3002284-B1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | HOFFMANN LA ROCHE (CH) | 2019-05-22 | — | — | EP | disclosed |