Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10290350 | 0.86 | PTGS2 (0.36) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2714683 | 0.85 | PTGS2 (0.35) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4550398 | 0.82 | — | — | |
| SCHEMBL4550347 | 0.81 | AAK1 (0.39) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4550322 | 0.81 | AAK1 (0.39) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4550317 | 0.80 | IDH1 (0.43) | PTGS2CYP17A1CYP2C9CYP2C19AAK1 | |
| SCHEMBL16045149 | 0.80 | IDH1 (0.43) | PTGS2CYP17A1CYP2C9CYP2C19AAK1 | |
| Hydrochloric Acid SCHEMBL2715008 | 0.80 | AAK1 (0.39) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2715227 | 0.80 | AAK1 (0.39) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4550313 | 0.79 | AAK1 (0.36) | PTGS2CYP17A1CYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012053186-A1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-04-26 | — | — | WO | disclosed |