Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | FABP2 | P12104 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL474521 | 0.85 | TP53 (0.39) | SMN1; SMN2ALDH1A1GLAMAPK14GAA | |
| SCHEMBL474633 | 0.81 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1GLAMAPK14AKR1C3 | |
| SCHEMBL474975 | 0.81 | ALDH1A1 (0.35) | SMN1; SMN2ALDH1A1GLAMAPK14PTGS1 | |
| SCHEMBL474933 | 0.75 | PPARG (0.39) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL474508 | 0.73 | SRD5A2 (0.41) | SMN1; SMN2ALDH1A1GLAAKR1C3AKR1C2 | |
| SCHEMBL12163970 | 0.73 | CMA1 (0.35) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KMT2A | |
| SCHEMBL474729 | 0.73 | CMA1 (0.35) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KMT2A | |
| SCHEMBL474976 | 0.72 | PTGDR2 (0.39) | SMN1; SMN2ALDH1A1GLAMAPK14PTGS2 | |
| SCHEMBL473961 | 0.72 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL474936 | 0.71 | ADORA2A (0.42) | SMN1; SMN2BRPF1BRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |