Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLQ | O75417 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633764 | 0.91 | POLQ (0.53) | POLQTP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2149620 | 0.76 | TP53 (0.51) | POLQTP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2148966 | 0.73 | TP53 (0.51) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL2149755 | 0.69 | TP53 (0.56) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL12616390 | 0.68 | TP53 (0.62) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL14230004 | 0.68 | TP53 (0.89) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL1719085 | 0.68 | SLC6A9 (0.44) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL7509240 | 0.67 | TP53 (0.60) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL16627492 | 0.67 | TP53 (0.70) | TP53SMN1; SMN2NPC1RAB9AJAK2 | |
| SCHEMBL4757416 | 0.67 | TP53 (0.64) | TP53SMN1; SMN2NPC1RAB9AJAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |