Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL10831738 | 0.79 | FLT3 (0.55) | FLT3NPC1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL4683562 | 0.79 | FLT3 (0.49) | FLT3CA2NPC1F2DRD2 | |
| SCHEMBL27511220 | 0.77 | FLT3 (0.47) | FLT3CA2NPC1F2DRD2 | |
| SCHEMBL6021894 | 0.75 | FLT3 (0.76) | FLT3CA2NPC1DRD2MAOA | |
| SCHEMBL31060249 | 0.73 | FLT3 (1.00) | FLT3CA2NPC1DRD2MAOA | |
| SCHEMBL1406381 | 0.72 | HTR3E (0.43) | MAPTALDH1A1HSD17B10 | |
| SCHEMBL3487776 | 0.72 | FLT3 (0.76) | FLT3CA2NPC1SMN1; SMN2MAPT | |
| SCHEMBL3488095 | 0.70 | FLT3 (0.73) | FLT3CA2NPC1MAOASMN1; SMN2 | |
| SCHEMBL211674 | 0.70 | FLT3 (0.67) | FLT3CA2NPC1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL6985335 | 0.69 | FLT3 (0.65) | FLT3CA2NPC1SMN1; SMN2MAPT |
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-2753615-B1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-2013034238-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |