Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8574359 | 0.80 | ALDH1A1 (0.52) | ALDH1A1SLC6A3CXCL12PKMRAB9A | |
| SCHEMBL305871 | 0.78 | SLC6A3 (0.48) | ALDH1A1SLC6A3MEN1KMT2APKM | |
| SCHEMBL29641926 | 0.78 | MEN1 (0.49) | ALDH1A1TRPA1MEN1KMT2ATP53 | |
| SCHEMBL17461032 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SLC6A3MEN1KMT2APKM | |
| SCHEMBL307646 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SLC6A3MEN1KMT2APKM | |
| SCHEMBL25298572 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SLC6A3MEN1KMT2APKM | |
| SCHEMBL153277 | 0.77 | ALDH1A1 (0.71) | ALDH1A1SLC6A3MEN1KMT2APKM | |
| SCHEMBL10041228 | 0.74 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2APKMRAB9A | |
| SCHEMBL10040966 | 0.74 | HPGD (0.39) | ALDH1A1TRPA1MEN1KMT2ARAB9A | |
| SCHEMBL308205 | 0.73 | POLB (0.59) | ALDH1A1KMT2ATP53HPGDPOLB |
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-2012019496-A1 | C-ARYL GLUCOSIDE DERIVATIVES, PREPARATION RPOCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |