Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL395142 | 0.80 | ALDH1A1 (0.47) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL532944 | 0.79 | ALDH1A1 (0.43) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL30439061 | 0.79 | ALDH1A1 (0.43) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL5160048 | 0.79 | ALDH1A1 (0.43) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| Water SCHEMBL27673190 | 0.77 | ALDH1A1 (0.45) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL29008323 | 0.77 | ALDH1A1 (0.45) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| Bromide SCHEMBL28821509 | 0.77 | ALDH1A1 (0.45) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL2131880 | 0.75 | ALDH1A1 (0.50) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL8909014 | 0.75 | CYP1A2 (0.38) | CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL21218742 | 0.75 | CYP1A2 (0.43) | CYP3A4TSHRMAPK1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103508960-B | Benzheterocyclic derivatives | 江苏先声药业有限公司 | 2017-12-12 | — | — | CN | disclosed |