Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3347068 | 0.83 | RAB9A (0.34) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3235804 | 0.75 | LDHA (0.33) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3237908 | 0.75 | NPC1 (0.30) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL2149035 | 0.72 | — | — | |
| SCHEMBL2150027 | 0.72 | NPC1 (0.34) | RAB9ANPC1 | |
| SCHEMBL3633919 | 0.72 | MEN1 (0.45) | MEN1KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL3230237 | 0.71 | PTGDR2 (0.32) | — | |
| SCHEMBL3239111 | 0.71 | KDM4E (0.32) | MEN1KMT2ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3243756 | 0.71 | BRD4 (0.36) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3347259 | 0.70 | PTGDR2 (0.46) | MEN1KMT2ASMN1; SMN2KDM4E |
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-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |