Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LDHA | P00338 | 2/20 | 0.34 |
| ▸ | LDHB | P07195 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL3631359 | 0.89 | NOTUM (0.45) | NOTUMMAPTLMNAGAAHTT | |
| SCHEMBL3629591 | 0.85 | ATM (0.46) | ALDH1A1MAPTATMMEN1LMNA | |
| SCHEMBL3633919 | 0.85 | MEN1 (0.45) | NOTUMALDH1A1ATMMEN1GAA | |
| SCHEMBL3631576 | 0.84 | ALDH1A1 (0.35) | NOTUMALDH1A1JAK1TYK2JAK3 | |
| SCHEMBL3634504 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPTATMMEN1GAA | |
| SCHEMBL3631491 | 0.79 | ABCB1 (0.49) | NOTUMALDH1A1MCL1LDHALDHB | |
| SCHEMBL3626683 | 0.79 | NOTUM (0.42) | NOTUMALDH1A1MAPTGRM1MEN1 | |
| SCHEMBL3633608 | 0.77 | ABCB1 (0.53) | NOTUMMEN1LMNAKMT2AKDM4E | |
| SCHEMBL3631115 | 0.77 | CA12 (0.43) | NOTUMALDH1A1MAPTLMNAHPGD | |
| SCHEMBL3633758 | 0.77 | NOTUM (0.44) | NOTUMALDH1A1GRM1MEN1KMT2A |
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-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| 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 |