Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL7837815 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2C19TP53CYP2D6 | |
| SCHEMBL607460 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2C19TP53CYP2D6 | |
| SCHEMBL18838590 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TSHRCYP2C19TP53CYP2D6 | |
| SCHEMBL2246651 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2C19PIK3CD | |
| SCHEMBL2244402 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2C19PIK3CD | |
| SCHEMBL2348720 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL6774005 | 0.77 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL7650942 | 0.77 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL7650268 | 0.75 | ACLY (0.48) | ALDH1A1TSHRCYP2C19CYP2D6HIF1A | |
| SCHEMBL263616 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1109623-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000003802-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2000-01-27 | — | — | WO | disclosed |