Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 4/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6533479 | 0.87 | ITK (0.35) | ITKEGFRCFTRCDC7CDK19 | |
| SCHEMBL6528181 | 0.86 | TBK1 (0.35) | CFTRCDC7CDK19CHRNA7POLB | |
| SCHEMBL6528749 | 0.85 | MEN1 (0.37) | CFTRCHRNA7POLBALDH1A1TP53 | |
| SCHEMBL6528784 | 0.84 | GALR2 (0.37) | CFTRPOLBSYK | |
| SCHEMBL6531461 | 0.83 | EGFR (0.39) | EGFRCFTRCHRNA7POLBALDH1A1 | |
| SCHEMBL6528279 | 0.83 | GALR2 (0.38) | SYK | |
| SCHEMBL6529648 | 0.83 | PDPK1 (0.41) | EGFRPOLBTSHRMEN1KMT2A | |
| SCHEMBL6529551 | 0.82 | CHRNA7 (0.35) | CFTRCHRNA7POLBALDH1A1KDM4E | |
| SCHEMBL6530876 | 0.82 | MAPT (0.38) | EGFRPOLBALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL6530216 | 0.81 | NPC1 (0.38) | ITKEGFRPOLBALDH1A1TSHR |
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-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |