Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 7/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1064971 | 0.89 | EPHX1 (0.60) | EPHX1APPESR1ESR2PDCD1 | |
| SCHEMBL458652 | 0.87 | EPHX1 (0.51) | EPHX1APPFFAR1ACACB | |
| Hydrochloric Acid SCHEMBL15663072 | 0.87 | EPHX1 (0.58) | EPHX1APPESR1ESR2PDCD1 | |
| SCHEMBL456155 | 0.81 | ACACB (0.60) | EPHX1APPMAPTACACB | |
| SCHEMBL455771 | 0.78 | EPHX1 (0.53) | EPHX1APPFFAR1ESR1 | |
| SCHEMBL462901 | 0.77 | GAA (0.47) | APPFFAR1GAAMAPTCRHBP | |
| SCHEMBL18130044 | 0.77 | APP (0.58) | APPFFAR1ESR1ESR2PDCD1 | |
| SCHEMBL964721 | 0.72 | EPHX1 (0.60) | EPHX1APPESR1GAA | |
| SCHEMBL16750533 | 0.72 | EPHX1 (0.60) | EPHX1APPSMN1; SMN2 | |
| SCHEMBL13446952 | 0.72 | EPHX1 (0.60) | EPHX1APPESR1GAA |
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 |