Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3725897 | 1.00 | LSS (0.39) | LSSATMHTR1AHTR1DHTR1B | |
| SCHEMBL3725535 | 0.92 | ESR1 (0.39) | MAOAESR1ESR2ATP4AATP4B | |
| SCHEMBL3725532 | 0.92 | ESR1 (0.39) | MAOAESR1ESR2ATP4AATP4B | |
| SCHEMBL3732714 | 0.87 | ALK (0.46) | SMN1; SMN2ALKCDK2GSK3B | |
| SCHEMBL3732711 | 0.87 | ALK (0.46) | SMN1; SMN2ALKCDK2GSK3B | |
| SCHEMBL676334 | 0.85 | ATM (0.40) | LSSATMHTR1AHTR1DHTR1B | |
| SCHEMBL676333 | 0.85 | ATM (0.40) | LSSATMHTR1AHTR1DHTR1B | |
| SCHEMBL3721481 | 0.84 | NPC1 (0.41) | TLR7TLR8ALK | |
| SCHEMBL3721483 | 0.84 | NPC1 (0.41) | TLR7TLR8ALK | |
| SCHEMBL3724263 | 0.83 | ALK (0.39) | ALKGSK3B |
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 |