Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SCN2B | O60939 | 3/20 | 0.38 |
| ▸ | SCN1B | Q07699 | 3/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPD | P32754 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
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 | 0.90 | MEN1 (0.43) | NOTUMALDH1A1ABCB1KMT2AMEN1 | |
| SCHEMBL3632665 | 0.86 | ABCB1 (0.50) | NOTUMALDH1A1L3MBTL1ABCB1KMT2A | |
| SCHEMBL1551329 | 0.84 | AKR1C3 (0.37) | SCN2BSCN1BSCN9AABCB1KMT2A | |
| SCHEMBL3633758 | 0.83 | NOTUM (0.44) | NOTUMALDH1A1L3MBTL1SCN2BSCN1B | |
| SCHEMBL3634622 | 0.81 | NOTUM (0.45) | NOTUMSCN2BSCN1BSCN5ASCN9A | |
| SCHEMBL4288252 | 0.80 | ABCB1 (0.37) | L3MBTL1ABCB1KMT2AMEN1 | |
| SCHEMBL3634031 | 0.79 | PLA2G4A (0.35) | KMT2AMEN1RAB9A | |
| SCHEMBL4284158 | 0.78 | ABCB1 (0.37) | ABCB1 | |
| SCHEMBL3632614 | 0.77 | MEN1 (0.45) | NOTUMALDH1A1L3MBTL1ABCB1KMT2A | |
| SCHEMBL1550103 | 0.77 | SMN1; SMN2 (0.39) | TSHRKMT2AMEN1MAPTLMNA |
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 |