Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27714278 | 0.81 | HCAR2 (0.40) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL14012897 | 0.79 | HCAR2 (0.46) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL14767817 | 0.79 | HCAR2 (0.46) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| Acetic Acid SCHEMBL27317270 | 0.77 | ALDH1A1 (0.40) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL14749991 | 0.76 | ALDH1A1 (0.43) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL12065716 | 0.76 | ALDH1A1 (0.43) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL7037263 | 0.76 | ALDH1A1 (0.43) | ALDH1A1EGLN1MAPTKDM4EHCAR2 | |
| SCHEMBL3041576 | 0.75 | — | — | |
| SCHEMBL3041579 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL28038876 | 0.74 | — | — |
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-2011092505-A1 | S100 PROTEIN BINDING INTERACTION INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2011-08-04 | — | — | WO | disclosed |