Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL20702259 | 0.77 | HTT (0.45) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL7185591 | 0.76 | ALDH1A1 (0.51) | HTTMEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL8340559 | 0.75 | HTT (0.45) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL17748392 | 0.75 | HTT (0.37) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL17748389 | 0.73 | TRPA1 (0.44) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL3078081 | 0.73 | XDH (0.46) | HPGDMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL5168069 | 0.72 | HTT (0.66) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL9958704 | 0.71 | AKR1C3 (0.49) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL5164363 | 0.71 | HTT (0.59) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL9454262 | 0.70 | MAOA (0.42) | SRCAKR1C3AKR1C2ALDH1A1AKR1B10 |
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-2468741-A1 | Novel quercetin derivatives, their preparation, pharmaceutical compositions containing them and their use | Bel/Novamann International s.r.o. (SK) | 2012-06-27 | — | — | EP | disclosed |