Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HMGCR | P04035 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CPT2 | P23786 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL528207 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL27342657 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL21893883 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10777495 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL11509869 | 0.73 | HMGCR (0.52) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL8466961 | 0.73 | ACLY (0.48) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10938453 | 0.73 | HMGCR (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL38732 | 0.69 | — | — | |
| SCHEMBL880688 | 0.69 | ALDH1A1 (0.56) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9858878 | 0.69 | ALDH1A1 (0.56) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994001450-A1 | METHOD OF PREPARING ETHENO- AND ETHANO-16 α,17β-STEROIDDIOLS AND DERIVATIVES THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-01-20 | — | — | WO | disclosed |