Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | PPOX | P50336 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | NPY2R | P49146 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL12467202 | 0.79 | AKT1 (0.33) | CDK2AKR1C3AKR1C2NPY1RNPY2R | |
| Trifluoroacetic Acid SCHEMBL14974697 | 0.75 | POLB (0.34) | GAAMAPTHTTLMNA | |
| SCHEMBL12467199 | 0.69 | AKT1 (0.32) | GAAMAPTHTT | |
| SCHEMBL3809336 | 0.68 | SORT1 (0.40) | MEN1KMT2AL3MBTL1NPY1RNPY2R | |
| SCHEMBL14974538 | 0.61 | RPS6KB1 (0.47) | — | |
| SCHEMBL14974384 | 0.60 | RPS6KB1 (0.59) | — | |
| SCHEMBL527671 | 0.58 | AKT1 (0.40) | SCN3AMEN1KMT2ATHRBGAA | |
| SCHEMBL7686888 | 0.58 | HSD17B10 (0.55) | MEN1KMT2AAKR1C3AKR1C2GAA | |
| SCHEMBL2652910 | 0.57 | AKR1C3 (0.53) | MEN1KMT2ATDP1AKR1C3AKR1C2 | |
| SCHEMBL25754876 | 0.57 | TBXA2R (0.50) | TDP1L3MBTL1SMN1; SMN2MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598492-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | Merck Patent GmbH (DE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012013282-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |