Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 5/20 | 0.43 |
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982075 | 1.00 | PAK4 (0.43) | PAK4KDRIP6K1LRRK2NPC1 | |
| SCHEMBL6981480 | 0.92 | PAK4 (0.42) | PAK4BACE1TP53MAPTGSK3B | |
| SCHEMBL6981475 | 0.92 | PAK4 (0.42) | PAK4BACE1TP53MAPTGSK3B | |
| SCHEMBL7984576 | 0.89 | KDR (0.45) | PAK4KDRLRRK2NPC1ALDH1A1 | |
| SCHEMBL7984532 | 0.88 | RAB9A (0.49) | PAK4KDRLRRK2NPC1RAB9A | |
| SCHEMBL6977915 | 0.87 | PAK4 (0.42) | PAK4KDRSMN1; SMN2 | |
| SCHEMBL7987909 | 0.87 | PAK4 (0.42) | PAK4KDRSMN1; SMN2 | |
| SCHEMBL7226408 | 0.87 | LRRK2 (0.47) | PAK4KDRIP6K1LRRK2NPC1 | |
| SCHEMBL7226405 | 0.87 | LRRK2 (0.47) | PAK4KDRIP6K1LRRK2NPC1 | |
| SCHEMBL7985455 | 0.87 | JAK3 (0.44) | PAK4KDRLRRK2NPC1RAB9A |
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-1071665-B1 | SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-10-01 | — | — | EP | disclosed |
| EP-1071665-A1 | SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES | Boehringer Ingelheim Pharma KG (DE) | 2001-01-31 | — | — | EP | disclosed |
| US-6169106-B1 | ANTITUMOUR AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-01-02 | — | — | US | disclosed |
| WO-1999052869-A1 | SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-21 | — | — | WO | disclosed |