Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 3/20 | 0.32 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.31 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2150027 | 0.82 | NPC1 (0.34) | HSD17B10ASAH1 | |
| SCHEMBL2149035 | 0.82 | — | — | |
| SCHEMBL3230237 | 0.81 | PTGDR2 (0.32) | GFER | |
| SCHEMBL3237136 | 0.79 | TYR (0.39) | KDM4EHSD17B10HDAC1MEN1KMT2A | |
| SCHEMBL3237908 | 0.78 | NPC1 (0.30) | SMN1; SMN2 | |
| SCHEMBL3235804 | 0.78 | LDHA (0.33) | SMN1; SMN2 | |
| SCHEMBL3347068 | 0.77 | RAB9A (0.34) | KDM4EALDH1A1MEN1KMT2AGFER | |
| SCHEMBL3243756 | 0.74 | BRD4 (0.36) | KDM4EMEN1KMT2AGFERSMN1; SMN2 | |
| SCHEMBL3235748 | 0.73 | GFER (0.35) | KDM4EHSD17B10ALDH1A1MEN1KMT2A | |
| SCHEMBL3240963 | 0.72 | LDHA (0.34) | KDM4EALDH1A1MEN1KMT2AGFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |