Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | FABP2 | P12104 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519530 | 0.86 | HTT (0.48) | HTTMAPTSLC6A4SLC6A3TP53 | |
| SCHEMBL11250307 | 0.86 | HTT (0.48) | HTTMAPTSLC6A4SLC6A3TP53 | |
| SCHEMBL31585949 | 0.85 | FOLH1 (0.57) | HTTMAPTMEN1KMT2AAKR1C3 | |
| SCHEMBL17796951 | 0.85 | FOLH1 (0.57) | HTTMAPTMEN1KMT2AAKR1C3 | |
| Acetic Acid SCHEMBL5668607 | 0.83 | FOLH1 (0.49) | HTTMAPTSLC6A4SLC6A3PTGS1 | |
| SCHEMBL14397862 | 0.83 | CYP2C9 (0.54) | HTTMAPTTSHRLMNACYP1A2 | |
| SCHEMBL4026875 | 0.82 | BCAT2 (0.61) | HTTMAPTDHODHBCAT2FOLH1 | |
| SCHEMBL30463456 | 0.82 | BCAT2 (0.61) | HTTMAPTDHODHBCAT2FOLH1 | |
| SCHEMBL5951431 | 0.81 | SMN1; SMN2 (0.53) | HTTMAPTMEN1KMT2ALMNA | |
| SCHEMBL31413664 | 0.81 | SMN1; SMN2 (0.53) | HTTMAPTMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106316818-B | A kind of synthetic method of dimerization naphthaquinone derivatives | 浙江工业大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-106316818-A | Dimeric naphthoquinones derivative synthetic method | 浙江工业大学 | 2017-01-11 | — | — | CN | disclosed |