Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.74 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.48 |
| ▸ | WNT3A | P56704 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| SCHEMBL15887331 | 0.87 | GAA (0.56) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL5538672 | 0.87 | GAA (0.69) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL1892817 | 0.85 | GAA (1.00) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL30636606 | 0.85 | GAA (1.00) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL29479621 | 0.84 | GAA (0.74) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL287428 | 0.83 | ALDH1A1 (0.68) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL2358986 | 0.78 | MEN1 (0.65) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL2620971 | 0.78 | MEN1 (0.60) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL24163449 | 0.77 | KMT2A (0.63) | GAAMEN1ALDH1A1KMT2ACTNNB1 | |
| SCHEMBL5132777 | 0.76 | MEN1 (0.72) | GAAMEN1ALDH1A1KMT2ACTNNB1 |
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-110483492-A | Dipeptidyl peptidase i inhibitors | ASTRAZENECA AB | 2019-11-22 | — | — | CN | disclosed |
| CN-105980367-B | (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors | 阿斯利康(瑞典)有限公司 | 2019-08-23 | — | — | CN | disclosed |