Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | SELL | P14151 | 1/20 | 0.40 |
| ▸ | SELP | P16109 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365334 | 0.97 | TDP1 (0.47) | TDP1MAPTCSNK2A1SELLSELP | |
| SCHEMBL30947789 | 0.95 | MAPT (0.46) | TDP1MAPTCSNK2A1SELLSELP | |
| SCHEMBL3366515 | 0.95 | MAPT (0.46) | TDP1MAPTCSNK2A1SELLSELP | |
| SCHEMBL3368061 | 0.95 | MAPT (0.46) | TDP1MAPTCSNK2A1SELLSELP | |
| SCHEMBL3369498 | 0.93 | TDP1 (0.50) | TDP1MAPTCSNK2A1SELLSELP | |
| SCHEMBL28665839 | 0.92 | PPARA (0.46) | TDP1MAPTPPARAPPARGKAT8 | |
| SCHEMBL25231902 | 0.90 | PPARA (0.54) | PPARAPPARGKAT8ALOX5MCL1 | |
| SCHEMBL2047272 | 0.90 | PPARA (0.54) | PPARAPPARGKAT8ALOX5MCL1 | |
| SCHEMBL31558743 | 0.90 | PPARA (0.54) | PPARAPPARGKAT8ALOX5MCL1 | |
| SCHEMBL11895245 | 0.89 | TDP1 (0.46) | TDP1MAPTCSNK2A1SELLSELP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010043631-A1 | DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY | UNIVERSITE LIBRE DE BRUXELLES (BE) | 2010-04-22 | — | — | WO | claimed |
| WO-2010043631-A1 | DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY | UNIVERSITE LIBRE DE BRUXELLES (BE) | 2010-04-22 | — | — | WO | disclosed |