Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL9921245 | 0.79 | MAPT (0.38) | MAPTNPSR1PYCR1KCNH2GABRA1 | |
| SCHEMBL14197208 | 0.78 | HRH3 (0.37) | ALDH1A1MAPTPOLBGPR55HRH3 | |
| SCHEMBL10076566 | 0.77 | SLC6A4 (0.54) | ALDH1A1MAPTPOLBTHRBGAA | |
| SCHEMBL23419206 | 0.75 | PYCR1 (0.50) | ALDH1A1MAPTPOLBGPR55THRB | |
| SCHEMBL8230054 | 0.74 | GRIN2D (0.41) | MAPTNPSR1 | |
| SCHEMBL20428092 | 0.74 | MAPT (0.51) | ALDH1A1MAPTPOLBGPR55THRB | |
| SCHEMBL16998685 | 0.72 | IDO1 (0.35) | ALDH1A1MAPTPOLBNPSR1PYCR1 | |
| SCHEMBL30474183 | 0.72 | IDO1 (0.35) | ALDH1A1MAPTPOLBNPSR1PYCR1 | |
| SCHEMBL24799544 | 0.72 | PYCR1 (0.44) | ALDH1A1MAPTPOLBGPR55THRB | |
| SCHEMBL13932525 | 0.72 | AMY1A (0.42) | ALDH1A1MAPTPOLBNPSR1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024366-B1 | MONOCYCLIC HETEROARYL COMPOUNDS | ARIAD PHARMA INC (US) | 2015-09-16 | — | — | EP | disclosed |
| US-7354919-B2 | Isoxazole compositions useful as inhibitors of ERK | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-08 | — | — | US | disclosed |