Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27465741 | 0.84 | CYP2C9 (0.40) | EPHX1CA12CA1CA2CA4 | |
| SCHEMBL458652 | 0.79 | EPHX1 (0.51) | EPHX1APPCYP2C9FFAR1 | |
| SCHEMBL455795 | 0.78 | EPHX1 (0.50) | EPHX1APPESR1FFAR1 | |
| SCHEMBL18997714 | 0.78 | CYP2C9 (0.36) | CA12CA1CA2CA4CA9 | |
| SCHEMBL13446952 | 0.75 | EPHX1 (0.60) | EPHX1APPCYP2C9PTGS2PTGS1 | |
| SCHEMBL3261236 | 0.75 | EPHX1 (0.60) | EPHX1APPCYP2C9PTGS2PTGS1 | |
| SCHEMBL1064971 | 0.75 | EPHX1 (0.60) | EPHX1APPCA12CA1CA2 | |
| SCHEMBL964721 | 0.75 | EPHX1 (0.60) | EPHX1APPCYP2C9PTGS2PTGS1 | |
| SCHEMBL16750533 | 0.75 | EPHX1 (0.60) | EPHX1APPPTGS2LMNAALOX5 | |
| SCHEMBL3054675 | 0.75 | EPHX1 (0.60) | EPHX1APPPTGS2LMNAALOX5 |
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 |