Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.58 |
| ▸ | ACHE | P22303 | 10/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL676491 | 0.90 | CHEK1 (0.58) | CHEK1ACHEJAK2 | |
| SCHEMBL3732831 | 0.85 | CHEK1 (0.54) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL3732828 | 0.85 | CHEK1 (0.54) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL676204 | 0.84 | CHEK1 (0.67) | CHEK1ACHEJAK2HRH3 | |
| SCHEMBL3727833 | 0.83 | JAK2 (0.50) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL676490 | 0.83 | CHEK1 (0.54) | CHEK1ACHEJAK2TLR8TLR7 | |
| SCHEMBL676492 | 0.83 | JAK2 (0.52) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL675876 | 0.83 | JAK2 (0.55) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL3723321 | 0.82 | ALK (0.50) | CHEK1ACHEJAK2MEN1NPC1 | |
| SCHEMBL3726326 | 0.81 | CHEK1 (0.48) | CHEK1ACHEMEN1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |