Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.35 |
| ▸ | LDHB | P07195 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TEK | Q02763 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 2/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
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 | 0.81 | BRD4 (0.36) | LDHALDHBKDM4ENPC1MAPT | |
| SCHEMBL3235804 | 0.80 | LDHA (0.33) | LDHALDHBNPC1MAPTAHR | |
| SCHEMBL3240963 | 0.79 | LDHA (0.34) | LDHALDHBKDM4ENPC1MAPT | |
| SCHEMBL3238452 | 0.78 | BRD9 (0.36) | LDHALDHBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2150027 | 0.77 | NPC1 (0.34) | LDHALDHBNPC1RAB9A | |
| SCHEMBL3633919 | 0.76 | MEN1 (0.45) | KDM4EGAACYP2C9ALDH1A1 | |
| SCHEMBL3230025 | 0.76 | PTGDR2 (0.35) | PTGDR2LDHALDHBKDM4EGAA | |
| SCHEMBL3631491 | 0.75 | ABCB1 (0.49) | LDHALDHBKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL3233960 | 0.75 | NOTUM (0.36) | KDM4ENPC1MAPTAHRRAB9A | |
| SCHEMBL3237908 | 0.74 | NPC1 (0.30) | NPC1MAPTAHRRAB9ASMN1; SMN2 |
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 |