Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631637 | 0.88 | LMNA (0.43) | KDM4EALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL3626683 | 0.87 | NOTUM (0.42) | KDM4EALDH1A1HPGDNOTUMALKBH5 | |
| SCHEMBL3632913 | 0.87 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDLMNATSHR | |
| SCHEMBL3633919 | 0.86 | MEN1 (0.45) | KDM4EALDH1A1HPGDNOTUMKMT2A | |
| SCHEMBL3633758 | 0.85 | NOTUM (0.44) | ALDH1A1NOTUMKMT2ATSHRMEN1 | |
| SCHEMBL3631491 | 0.80 | ABCB1 (0.49) | KDM4EALDH1A1NOTUMLMNAKMT2A | |
| SCHEMBL4283426 | 0.80 | GRM1 (0.40) | ALDH1A1 | |
| SCHEMBL3629591 | 0.79 | ATM (0.46) | KDM4EALDH1A1LMNAKMT2ATSHR | |
| SCHEMBL3633448 | 0.79 | NOTUM (0.43) | ALDH1A1NOTUMLMNAGFER | |
| SCHEMBL3633608 | 0.78 | ABCB1 (0.53) | KDM4ENOTUMLMNAKMT2AMEN1 |
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 |