Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 2/20 | 0.35 |
| ▸ | NSD2 | O96028 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.32 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1615000 | 0.80 | ALDH1A1 (0.39) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL11546199 | 0.79 | PGAM1 (0.36) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6389483 | 0.75 | TIMP3 (0.39) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6390858 | 0.72 | NT5E (0.44) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6390636 | 0.71 | ALDH1A1 (0.40) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6389354 | 0.71 | CES1 (0.46) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6390629 | 0.69 | TYMS (0.38) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6389597 | 0.69 | SMN1; SMN2 (0.39) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6390766 | 0.69 | TYMS (0.35) | CASP6ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6389093 | 0.68 | TYMS (0.40) | CASP6NSD2TSHRTDP1DUSP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051134-A | Reactive dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |