Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11224623 | 0.84 | ATM (0.54) | CD44CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL11224625 | 0.84 | ATM (0.54) | CD44CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL11119366 | 0.78 | GAA (0.44) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL3338118 | 0.78 | TDP1 (0.54) | CD44CYP3A4TDP1TSHRPIK3CA | |
| Hydrochloric Acid SCHEMBL9012868 | 0.76 | TDP1 (0.53) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL8168365 | 0.76 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL11667717 | 0.74 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL23242992 | 0.70 | ATM (0.68) | CD44TDP1TSHRMEN1HSP90AA1 | |
| SCHEMBL10480070 | 0.70 | ATM (0.68) | CD44TDP1TSHRMEN1HSP90AA1 | |
| Hydrogen Sulfide SCHEMBL28874707 | 0.69 | CD44 (0.94) | CD44CYP3A4TDP1TSHRPIK3CA |
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-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |