Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086614 | 0.89 | ALDH1A1 (0.40) | ALDH1A1PDK2KMT2AMEN1KDM4E | |
| SCHEMBL5137948 | 0.74 | THRB (0.40) | ALDH1A1PDK2NPSR1MAPT | |
| SCHEMBL5139986 | 0.69 | THRB (0.41) | ALDH1A1PDK2HPGDNPSR1MAPT | |
| SCHEMBL24787149 | 0.66 | GPR35 (0.42) | ALDH1A1PDK2KMT2AMEN1POLB | |
| SCHEMBL5138928 | 0.65 | THRB (0.40) | ALDH1A1PDK2KMT2AMEN1NPSR1 | |
| SCHEMBL14232084 | 0.65 | THRB (0.40) | ALDH1A1PDK2HPGDNPSR1MAPT | |
| SCHEMBL2239449 | 0.65 | PDK2 (0.52) | ALDH1A1PDK2ESR2 | |
| SCHEMBL30341830 | 0.65 | PDK2 (0.52) | ALDH1A1PDK2ESR2 | |
| SCHEMBL18832681 | 0.64 | PDK2 (0.62) | ALDH1A1PDK2NPSR1ESR2 | |
| SCHEMBL29799042 | 0.63 | ESR2 (0.66) | ALDH1A1KMT2AMEN1ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008037604-A1 | NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF | UNIVERSITÀ DEGLI STUDI DI SIENA (IT) | 2008-04-03 | — | — | WO | disclosed |