Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3313456 | 0.97 | ALDH1A1 (0.42) | ALDH1A1ESR1ESR2ARACHE | |
| SCHEMBL822287 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ESR1ESR2ARACHE | |
| SCHEMBL25763108 | 0.81 | ESR1 (0.38) | ESR1ESR2NOTUMLMNAMAPT | |
| SCHEMBL25763104 | 0.78 | NOTUM (0.42) | ALDH1A1TDP1TSHRNOTUMLMNA | |
| SCHEMBL20089237 | 0.77 | ACHE (0.33) | ACHENR1H2NR1H3 | |
| SCHEMBL9360039 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ESR1ESR2ARACHE | |
| SCHEMBL1313523 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ESR1ESR2ARACHE | |
| SCHEMBL1314576 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ESR1ESR2ARACHE | |
| SCHEMBL18234154 | 0.77 | ESR1 (0.33) | ESR1ESR2ARACHENR1H2 | |
| SCHEMBL4853969 | 0.75 | TSHR (0.48) | ALDH1A1ESR1ESR2ARACHE |
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-2097429-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008065448-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-05 | — | — | WO | disclosed |