Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 3/20 | 0.31 |
| ▸ | CPT2 | P23786 | 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 | |
|---|---|---|---|---|
| SCHEMBL11865734 | 0.98 | ALDH1A1 (0.36) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL16413486 | 0.90 | ALDH1A1 (0.33) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL25613051 | 0.88 | MEN1 (0.42) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL3713421 | 0.87 | CAMK2A (0.36) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL13523682 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| Ethylene Glycol SCHEMBL3738508 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| Di(Hydroxyethyl)Ether SCHEMBL3731298 | 0.83 | TSHR (0.39) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| Di(Hydroxyethyl)Ether SCHEMBL3736317 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| Ethylene Glycol SCHEMBL3736370 | 0.81 | TSHR (0.36) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A | |
| 1,4-Butanediol SCHEMBL3739733 | 0.81 | ACHE (0.37) | ALDH1A1CYP2D6TSHRCYP2C19HIF1A |
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-20180043302-A1 | DESULFURIZATION AND DENITRATION AGENT | YONGFENG BOYUAN INDUSTRY CO. LTD., JIANGXI PROVINCE (CN) | 2018-02-15 | — | — | US | disclosed |