Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691588 | 0.89 | PDK1 (0.41) | PDK1PDK2KDM4EALDH1A1MAPT | |
| SCHEMBL4691935 | 0.85 | KDM4E (0.42) | PDK1PDK2KDM4EALDH1A1MAPT | |
| SCHEMBL4693427 | 0.82 | MAPT (0.42) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL4693420 | 0.78 | MAPT (0.45) | ALDH1A1MAPTKMT2ALMNAPOLB | |
| SCHEMBL4691933 | 0.76 | ALDH1A1 (0.42) | PDK1PDK2KDM4EALDH1A1MAPT | |
| SCHEMBL4691733 | 0.75 | KMT2A (0.45) | PDK1PDK2KDM4EALDH1A1MAPT | |
| SCHEMBL4691829 | 0.75 | KCNH2 (0.42) | — | |
| SCHEMBL4689975 | 0.75 | KDM4E (0.50) | PDK1PDK2KDM4EALDH1A1MAPT | |
| SCHEMBL4695680 | 0.74 | CCR5 (0.45) | — | |
| SCHEMBL4692260 | 0.74 | PDK1 (0.45) | PDK1PDK2KDM4EALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |