Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 10/20 | 0.60 |
| ▸ | APP | P05067 | 3/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2055565 | 0.90 | EPHX1 (0.55) | ALOX5EPHX1MEN1CYP3A4MAPT | |
| SCHEMBL2370549 | 0.90 | EPHX1 (0.55) | ALOX5EPHX1MEN1CYP3A4MAPT | |
| SCHEMBL16254199 | 0.85 | ACACB (0.66) | ACACBAPPMEN1CYP3A4MAPT | |
| SCHEMBL2169718 | 0.85 | PARP10 (0.58) | ALOX5EPHX1MEN1CYP3A4MAPT | |
| SCHEMBL458652 | 0.83 | EPHX1 (0.51) | ACACBAPPEPHX1 | |
| SCHEMBL455795 | 0.81 | EPHX1 (0.50) | ACACBAPPEPHX1MAPT | |
| SCHEMBL11969450 | 0.79 | ACACB (0.58) | ACACBKMT2A | |
| SCHEMBL9119592 | 0.75 | PTGS2 (0.73) | ALOX5MAPTCA1CA2PTGS1 | |
| SCHEMBL30760568 | 0.75 | PTGS2 (0.73) | ALOX5MAPTCA1CA2PTGS1 | |
| SCHEMBL30380801 | 0.75 | PTGS2 (0.73) | ALOX5MAPTCA1CA2PTGS1 |
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 |