Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4972429 | 0.79 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL381091 | 0.75 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL6349486 | 0.75 | TDP1 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL8104110 | 0.75 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL25386183 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL10748236 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL9777444 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| Iodide SCHEMBL3348496 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL2477535 | 0.73 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL30826334 | 0.73 | TDP1 (0.38) | CYP3A4TDP1ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111253258-A | Method for synthesizing methyl propionate through homogeneous-phase hydroesterification of ethylene | 华东理工大学 | 2020-06-09 | — | — | CN | disclosed |
| CN-1257859-A | Process for preparing 3-pentenic acid from allyl butenyl alcohol or ester using nickel catalyst | DU PONT (US) | 2000-06-28 | — | — | CN | disclosed |
| US-6015923-A | REACTING ALCOHOL OR ESTER WITH CARBON MONOXIDE IN PRESENCE OF NICKEL AND IODIDE SOURCE IN CARBOXYLIC ACID SOLVENT UNDER SPECIFIED CONDITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-01-18 | — | — | US | disclosed |