Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | ATP4A | P20648 | 2/20 | 0.38 |
| ▸ | ATP4B | P51164 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3725535 | 1.00 | ESR1 (0.39) | ESR1ESR2MCHR1ATP4AATP4B | |
| SCHEMBL3725895 | 0.92 | LSS (0.39) | ESR1ESR2ATP4AATP4BMAOA | |
| SCHEMBL3725897 | 0.92 | LSS (0.39) | ESR1ESR2ATP4AATP4BMAOA | |
| SCHEMBL675815 | 0.86 | ALK (0.48) | MCHR1ATP4AATP4BMAOAMAOB | |
| SCHEMBL678730 | 0.86 | ALK (0.48) | MCHR1ATP4AATP4BMAOAMAOB | |
| SCHEMBL3732711 | 0.86 | ALK (0.46) | ACHE | |
| SCHEMBL3732714 | 0.86 | ALK (0.46) | ACHE | |
| SCHEMBL676529 | 0.85 | ATP4A (0.38) | ESR1ESR2MCHR1ATP4AATP4B | |
| SCHEMBL676530 | 0.85 | ATP4A (0.38) | ESR1ESR2MCHR1ATP4AATP4B | |
| SCHEMBL3721481 | 0.83 | NPC1 (0.41) | MCHR1HRH3DRD3ACHE |
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 |