Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22109072 | 0.90 | ALDH1A1 (0.33) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL22109421 | 0.84 | MAPT (0.40) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL22109068 | 0.81 | ALDH1A1 (0.31) | ALDH1A1MAPTPKMGAA | |
| SCHEMBL22109492 | 0.81 | MAPT (0.35) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL30661156 | 0.79 | MAPT (0.37) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL470752 | 0.79 | MAPT (0.37) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL21938951 | 0.78 | MAPT (0.42) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL22109491 | 0.76 | MAPT (0.42) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL20779052 | 0.76 | MAPT (0.36) | ALDH1A1MAPTPKMGAAHPRT1 | |
| SCHEMBL20779056 | 0.76 | MAPT (0.36) | ALDH1A1MAPTPKMGAAHPRT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140144509-A1 | Compounds for Organic Photovoltaic Devices | NOVALED AG (DE) | 2014-05-29 | — | — | US | disclosed |
| WO-2012031735-A1 | COMPOUNDS FOR ORGANIC PHOTOVOLTAIC DEVICES | NOVALED AG (DE) | 2012-03-15 | — | — | WO | disclosed |