Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2149035 | 0.84 | — | — | |
| SCHEMBL3235804 | 0.82 | LDHA (0.33) | NPC1RAB9AMAPTAHRSMN1; SMN2 | |
| SCHEMBL3347068 | 0.81 | RAB9A (0.34) | NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3230237 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL2150027 | 0.79 | NPC1 (0.34) | NPC1RAB9A | |
| SCHEMBL3239111 | 0.78 | KDM4E (0.32) | SMN1; SMN2 | |
| SCHEMBL3243756 | 0.77 | BRD4 (0.36) | NPC1RAB9AMAPTAHRSMN1; SMN2 | |
| SCHEMBL3240963 | 0.76 | LDHA (0.34) | NPC1RAB9AMAPTAHRSMN1; SMN2 | |
| SCHEMBL3352258 | 0.75 | NTRK1 (0.39) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3237805 | 0.74 | PTGDR2 (0.39) | NPC1RAB9AMAPTAHRSMN1; 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 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 |