Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SCN2B | O60939 | 1/20 | 0.35 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.34 |
| ▸ | HPD | P32754 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316385 | 0.87 | MEN1 (0.43) | NOTUMLMNAATMKMT2AMEN1 | |
| SCHEMBL3631359 | 0.85 | NOTUM (0.45) | NOTUMHSP90AA1PTGS1PTGS2POLB | |
| SCHEMBL1550103 | 0.81 | SMN1; SMN2 (0.39) | POLBLMNAKMT2AMEN1TSHR | |
| SCHEMBL3632665 | 0.81 | ABCB1 (0.50) | NOTUMLMNAKMT2AMEN1KDM4E | |
| SCHEMBL3633358 | 0.81 | NOTUM (0.44) | NOTUMPOLBSCN2BSCN1BSCN5A | |
| SCHEMBL1551329 | 0.79 | AKR1C3 (0.37) | POLBSCN2BSCN1BSCN9ANOX4 | |
| SCHEMBL3236146 | 0.77 | BRD4 (0.31) | NOTUMPOLBKMT2AMEN1 | |
| SCHEMBL3634031 | 0.76 | PLA2G4A (0.35) | KMT2AMEN1 | |
| SCHEMBL4284158 | 0.75 | ABCB1 (0.37) | — | |
| SCHEMBL4288252 | 0.75 | ABCB1 (0.37) | KMT2AMEN1 |
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 |