Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 18/20 | 0.57 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16214704 | 0.84 | ACACB (0.57) | ACACB | |
| SCHEMBL16214700 | 0.83 | ACACB (0.64) | ACACB | |
| SCHEMBL458764 | 0.81 | AKR1C3 (0.64) | ACACB | |
| SCHEMBL16214698 | 0.78 | ACACB (0.60) | ACACBGPR88 | |
| SCHEMBL16214695 | 0.77 | SMN1; SMN2 (0.60) | ACACBNPC1RAB9A | |
| SCHEMBL462647 | 0.76 | ACACB (0.50) | ACACB | |
| SCHEMBL7748974 | 0.76 | POLB (0.66) | — | |
| SCHEMBL17365594 | 0.76 | POLB (0.66) | — | |
| SCHEMBL7472046 | 0.75 | NPC1 (0.58) | NPC1RAB9A | |
| SCHEMBL18119719 | 0.73 | MAPT (0.67) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8877754-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |