Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 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 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3633770 | 0.89 | NOTUM (0.41) | NOTUMTP53NPC1GAARAB9A | |
| SCHEMBL3634622 | 0.85 | NOTUM (0.45) | NOTUMTP53HSP90AA1PTGS1PTGS2 | |
| SCHEMBL3629591 | 0.84 | ATM (0.46) | TP53POLBGAAMAPTLMNA | |
| SCHEMBL3633919 | 0.84 | MEN1 (0.45) | NOTUMGAA | |
| SCHEMBL3633608 | 0.81 | ABCB1 (0.53) | NOTUMPTGS2LMNA | |
| SCHEMBL3633758 | 0.81 | NOTUM (0.44) | NOTUMPTGS2SCN2BSCN1BSCN5A | |
| SCHEMBL3631491 | 0.78 | ABCB1 (0.49) | NOTUMTP53POLBLMNAHTT | |
| SCHEMBL3626683 | 0.78 | NOTUM (0.42) | NOTUMHSP90AA1GAARAB9AALKBH5 | |
| SCHEMBL3631115 | 0.76 | CA12 (0.43) | NOTUMTP53POLBNPC1RAB9A | |
| SCHEMBL4283426 | 0.76 | GRM1 (0.40) | HTTTUBB4ATUBBTUBA3CTUBA1B |
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 |