Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.56 |
| ▸ | CTSG | P08311 | 2/20 | 0.56 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.56 |
| ▸ | CMA1 | P23946 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | ESRRG | P62508 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7075423 | 0.82 | KIF11 (0.44) | LMNAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL30739963 | 0.81 | GAA (0.55) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL27598396 | 0.81 | GAA (0.55) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL2332445 | 0.81 | PRSS1 (0.61) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL29182131 | 0.79 | PRSS1 (0.62) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL25752880 | 0.78 | PRSS1 (0.67) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL108567 | 0.78 | GAA (0.61) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL10224288 | 0.78 | PRSS1 (0.67) | GAAPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL20909439 | 0.78 | BCAT2 (0.46) | LMNAPOLBMAPT | |
| SCHEMBL21590340 | 0.77 | PRSS1 (0.65) | GAAPRSS1CTSGCTRB1CMA1 |
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-2016093175-A1 | METHOD FOR PRODUCING TRI(HETERO)ARYLACETONITRILE COMPOUND | 国立大学法人名古屋大学 | 2016-06-16 | — | — | WO | disclosed |