Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1217644 | 0.76 | GAA (0.45) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9623909 | 0.73 | KDM4E (0.52) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333193 | 0.73 | CYP3A4 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL8154502 | 0.72 | GAA (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9336100 | 0.71 | CYP3A4 (0.48) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9788874 | 0.70 | CYP3A4 (0.60) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9623823 | 0.69 | KDM4E (0.57) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL8674118 | 0.68 | GRM5 (0.37) | CYP3A4KDM4EGAATSHRALDH1A1 | |
| SCHEMBL2846416 | 0.68 | TDP1 (0.55) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9788864 | 0.67 | CYP3A4 (0.48) | CYP3A4TDP1KDM4EGAALMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696474-B1 | Catalytic systems and methods for carbonylation | DAICEL CHEM (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0948999-A1 | Catalytic systems and method for carbonylation | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-13 | — | — | EP | disclosed |
| US-5869738-A | OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-09 | — | — | US | disclosed |
| US-5731255-A | GROUP VIII METAL SOURCE, LIGAND, ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0696474-A2 | Catalytic systems and methods for carbonylation | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |