Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6743009 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C9GRIK1EPHX2PPARG | |
| SCHEMBL6743003 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C9GRIK1EPHX2PPARG | |
| SCHEMBL8041928 | 0.81 | CYP3A4 (0.63) | CYP3A4CYP2C9GRIK1ALDH1A1AKR1C3 | |
| SCHEMBL781849 | 0.81 | CYP3A4 (0.63) | CYP3A4CYP2C9GRIK1ALDH1A1AKR1C3 | |
| SCHEMBL4327979 | 0.81 | CYP3A4 (0.63) | CYP3A4CYP2C9GRIK1ALDH1A1AKR1C3 | |
| SCHEMBL9250425 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2C9GRIK1TBXAS1ALDH1A1 | |
| SCHEMBL28364390 | 0.80 | GRIK1 (0.59) | CYP3A4CYP2C9GRIK1ALDH1A1AKR1C3 | |
| SCHEMBL8865367 | 0.79 | PTPN1 (0.50) | CYP3A4CYP2C9GRIK1EPHX2PPARG | |
| SCHEMBL8865356 | 0.79 | PTPN1 (0.50) | CYP3A4CYP2C9GRIK1EPHX2PPARG | |
| SCHEMBL8865055 | 0.79 | TP53 (0.59) | CYP3A4CYP2C9GRIK1POLBAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6288235-B1 | MULTISTAGE REACTION WITH AMIDATION, CLEAVAGE FROM RESIN SUPPORT AND METHYLATION THEN CONDENSATION OF METHYL ESTER TO GIVE 2,4-DIOXOPIPERIDINE COMPOUNDS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-09-11 | — | — | US | disclosed |