Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 3/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4998223 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28936457 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRFFAR3 | |
| SCHEMBL4998219 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL7192048 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL27698358 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL4989276 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28305898 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28305899 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL17773024 | 0.74 | HMGCR (0.50) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL30890889 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0783034-B1 | Chelating agent and detergent comprising the same | MITSUBISHI RAYON CO (JP) | 2010-08-18 | — | — | EP | disclosed |