Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL35092 | 0.92 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2 | |
| Propane SCHEMBL17007613 | 0.90 | TDP1 (0.39) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL31379074 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL4255002 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL28754703 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL954340 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7934432 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL22749132 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL22749145 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL556980 | 0.90 | CYP3A4 (0.43) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6239250-B1 | SINGLE OLEFINS OR COMBINATIONS OF OLEFINS RANGING FROM ETHYLENE TO C12 OLEFINS CAN BE USED TO FORM THE LINEAR ALTERNATING COPOLYMER. | AIR PRODUCTS AND CHEMICALS, INC. | 2001-05-29 | — | — | US | disclosed |
| EP-1045017-A1 | Hot melt adhesives produced from linear alternating polyketones | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-10-18 | — | — | EP | disclosed |