Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL674780 | 0.89 | PGR (0.41) | PGRADORA2AADORA1DRD2HTR2A | |
| SCHEMBL676790 | 0.85 | PGR (0.42) | PGRADORA2AADORA1ALDH1A1DRD2 | |
| SCHEMBL3722217 | 0.84 | GABRP (0.42) | KCNH2ALKMMP2MMP9MMP8 | |
| SCHEMBL674781 | 0.83 | TLR8 (0.42) | PGRADORA2AADORA1KCNH2ALDH1A1 | |
| SCHEMBL676789 | 0.83 | PGR (0.40) | PGRADORA2AADORA1KCNH2ALDH1A1 | |
| SCHEMBL674782 | 0.83 | PGR (0.42) | PGRADORA2AADORA1ALDH1A1DRD2 | |
| SCHEMBL3724337 | 0.82 | PGR (0.44) | PGRKCNH2ALDH1A1DRD2HTR2A | |
| SCHEMBL676242 | 0.82 | PGR (0.41) | PGRADORA2AADORA1KCNH2ALDH1A1 | |
| SCHEMBL676241 | 0.82 | PGR (0.41) | PGRADORA2AADORA1KCNH2ALDH1A1 | |
| SCHEMBL674779 | 0.81 | PGR (0.42) | PGRADORA2AADORA1ALDH1A1DRD2 |
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 |