Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2062771 | 0.87 | ITGA4 (0.43) | RAB9AITGA4ITGB7CRHBPCRHR2 | |
| Trifluoroacetic Acid SCHEMBL3400737 | 0.77 | PTGDR2 (0.41) | ALDH1A1CYP3A4 | |
| SCHEMBL2061556 | 0.77 | TDP1 (0.44) | RAB9ACRHBPCRHR2ALDH1A1LMNA | |
| SCHEMBL27780713 | 0.75 | RAB9A (0.39) | RAB9AITGA4ITGB7NPC1PDE1C | |
| SCHEMBL28371306 | 0.75 | PTGDR2 (0.46) | ITGA4ITGB7CRHBPCRHR2ALDH1A1 | |
| SCHEMBL2787581 | 0.75 | CCR6 (0.50) | ALDH1A1LMNATDP1 | |
| SCHEMBL29288522 | 0.74 | CCR6 (0.45) | CRHBPCRHR2ALDH1A1LMNATDP1 | |
| SCHEMBL12330698 | 0.73 | ALDH1A1 (0.42) | RAB9AITGA4ITGB7ALDH1A1LMNA | |
| SCHEMBL801192 | 0.73 | CCR6 (0.54) | ALDH1A1LMNASMN1; SMN2TDP1 | |
| SCHEMBL8510870 | 0.72 | ALDH1A1 (0.49) | RAB9ACRHBPCRHR2NPC1ALDH1A1 |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |