Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 16/20 | 0.65 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL7403967 | 0.92 | GPR88 (0.59) | ACACBGPR88AKR1C3AKR1C2 | |
| SCHEMBL8403335 | 0.92 | GPR88 (0.59) | ACACBGPR88AKR1C3AKR1C2 | |
| SCHEMBL458764 | 0.88 | AKR1C3 (0.64) | ACACBAKR1C3AKR1C2 | |
| SCHEMBL14599721 | 0.86 | GPR88 (0.59) | GPR88AKR1C3AKR1C2 | |
| SCHEMBL16214693 | 0.85 | ACACB (0.65) | ACACBGPR88 | |
| SCHEMBL9861070 | 0.83 | LMNA (0.62) | GPR88AKR1C3AKR1C2 | |
| SCHEMBL14599980 | 0.82 | LMNA (0.64) | GPR88 | |
| SCHEMBL6414796 | 0.82 | LMNA (0.64) | GPR88 | |
| SCHEMBL5881684 | 0.79 | AKR1C3 (0.73) | ACACBAKR1C3AKR1C2 | |
| SCHEMBL12001364 | 0.79 | ACACB (1.00) | ACACB |
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-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |