Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 10/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL455795 | 0.87 | EPHX1 (0.50) | EPHX1ACACBFFAR1APP | |
| SCHEMBL456155 | 0.83 | ACACB (0.60) | EPHX1ACACBAPP | |
| SCHEMBL8141103 | 0.79 | ACACB (0.50) | ACACBFFAR1HTTAPPADK | |
| SCHEMBL455771 | 0.79 | EPHX1 (0.53) | EPHX1FFAR1APPCYP2C9 | |
| SCHEMBL964721 | 0.78 | EPHX1 (0.60) | EPHX1KIF11HTTAPPCYP2C9 | |
| SCHEMBL13446952 | 0.78 | EPHX1 (0.60) | EPHX1KIF11HTTAPPCYP2C9 | |
| SCHEMBL3261236 | 0.78 | EPHX1 (0.60) | EPHX1KIF11HTTAPPCYP2C9 | |
| SCHEMBL7794207 | 0.76 | EPHX1 (0.58) | EPHX1APPCYP2D6CYP2C9 | |
| SCHEMBL607802 | 0.76 | EPHX1 (0.58) | EPHX1APPCYP2D6CYP2C9 | |
| SCHEMBL607803 | 0.76 | EPHX1 (0.58) | EPHX1APPCYP2D6CYP2C9 |
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 |