Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.34 |
| ▸ | LDHB | P07195 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL3243756 | 0.83 | BRD4 (0.36) | LDHALDHBMAPTRAB9ANPC1 | |
| SCHEMBL3631491 | 0.80 | ABCB1 (0.49) | LDHALDHBSMN1; SMN2KDM4EMCL1 | |
| SCHEMBL3237805 | 0.79 | PTGDR2 (0.39) | LDHALDHBMAPTRAB9ANPC1 | |
| SCHEMBL3633919 | 0.78 | MEN1 (0.45) | KDM4EGFERKMT2AMEN1ALDH1A1 | |
| SCHEMBL3233960 | 0.77 | NOTUM (0.36) | MAPTRAB9ANPC1AHRSMN1; SMN2 | |
| SCHEMBL3235804 | 0.76 | LDHA (0.33) | LDHALDHBMAPTRAB9ANPC1 | |
| SCHEMBL3347259 | 0.76 | PTGDR2 (0.46) | SMN1; SMN2KDM4EKMT2AMEN1HTT | |
| SCHEMBL3237908 | 0.76 | NPC1 (0.30) | MAPTRAB9ANPC1AHRSMN1; SMN2 | |
| SCHEMBL3235748 | 0.76 | GFER (0.35) | MAPTRAB9ANPC1AHRSMN1; SMN2 | |
| SCHEMBL3236371 | 0.75 | PTGDR2 (0.44) | RAB9AGFER |
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 1 patent. 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 | disclosed |