Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL27482821 | 0.88 | POLB (0.45) | MEN1KMT2AALOX5SMN1; SMN2NPC1 | |
| SCHEMBL28096029 | 0.85 | CTSA (0.45) | FFAR1ALOX5SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL28096032 | 0.84 | L3MBTL1 (0.47) | CYP1A2FFAR1MEN1KMT2ACNR1 | |
| SCHEMBL28096112 | 0.80 | SLC6A3 (0.39) | SLC6A3MEN1KMT2AALOX5CNR1 | |
| Formaldehyde SCHEMBL28096113 | 0.77 | SLC6A3 (0.41) | SLC6A3MEN1KMT2ACNR1HTR2A | |
| SCHEMBL29290745 | 0.74 | POLB (0.47) | FFAR1MEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL14286024 | 0.74 | FFAR1 (0.50) | FFAR1MEN1KMT2AALOX5CNR1 | |
| SCHEMBL3522344 | 0.74 | FFAR1 (0.50) | FFAR1MEN1KMT2AALOX5CNR1 | |
| SCHEMBL28095672 | 0.73 | ALDH1A1 (0.47) | MEN1KMT2ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13988109 | 0.73 | CES2 (0.47) | MEN1KMT2AALOX5SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105924425-A | Preparation method of dihydrothiochroman derivative | 浙江师范大学 | 2016-09-07 | — | — | CN | disclosed |