Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 3/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
| ▸ | CBS | P35520 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8625577 | 0.98 | ALDH1A1 (0.42) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL736500 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL181518 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9781854 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL29514427 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28329215 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL2282279 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10943830 | 0.72 | TSHR (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9644019 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL8371321 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5801277-A | Solid catalyst for etherification reaction and production process for ether compound using this catalyst | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-09-01 | — | — | US | disclosed |
| EP-0808656-A1 | Solid catalyst for etherification reaction and production process for ether compound using this catalyst | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-11-26 | — | — | EP | disclosed |