Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 8/20 | 0.42 |
| ▸ | DRD2 | P14416 | 7/20 | 0.42 |
| ▸ | ATP4A | P20648 | 2/20 | 0.41 |
| ▸ | ATP4B | P51164 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL3398885 | 0.92 | LSS (0.45) | DRD3DRD2HTR6ALDH1A1TP53 | |
| SCHEMBL675362 | 0.86 | DRD3 (0.41) | DRD3DRD2ATP4AATP4BHRH3 | |
| SCHEMBL3670674 | 0.84 | DRD3 (0.41) | DRD3DRD2ATP4AATP4BHRH3 | |
| SCHEMBL675245 | 0.83 | HTR6 (0.45) | HTR6ALDH1A1TP53TSHRPSEN1 | |
| SCHEMBL3671386 | 0.83 | NPC1 (0.43) | HTR6ALDH1A1 | |
| SCHEMBL3668236 | 0.82 | HTR6 (0.46) | HTR6PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL675472 | 0.78 | SRC (0.43) | HTR6PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3424943 | 0.78 | NPC1 (0.38) | HTR6ALDH1A1 | |
| SCHEMBL3398593 | 0.77 | LSS (0.45) | DRD3DRD2HTR6SMN1; SMN2 | |
| SCHEMBL675444 | 0.73 | HTR6 (0.46) | HTR6ALDH1A1TSHRSMN1; SMN2PSEN1 |
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 |