Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28575378 | 0.89 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2LTA4H | |
| SCHEMBL29024165 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ether SCHEMBL1679520 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Biphenyl SCHEMBL27686986 | 0.81 | ALDH1A1 (0.45) | CYP3A4KDM4EGAALTA4HSMN1; SMN2 | |
| Propane SCHEMBL27796760 | 0.80 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Propane SCHEMBL28233649 | 0.80 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Benzene SCHEMBL27934572 | 0.80 | — | — | |
| Ether SCHEMBL17061168 | 0.79 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Toluene SCHEMBL27800889 | 0.79 | TSHR (0.52) | KDM4EGAALTA4HLMNASMN1; SMN2 | |
| Butane SCHEMBL28244852 | 0.78 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2KDM4E |
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-0755952-A2 | Acrylic copolymer elastomer, its blend rubber and blend rubber composition | NIPPON MEKTRON, LTD. (JP) | 1997-01-29 | — | — | EP | disclosed |
| WO-1993003042-A1 | 6-ETHYLIDENE PENEM DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1993-02-18 | — | — | WO | disclosed |