Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL32688998 | 0.85 | SLC6A3 (0.43) | EPHX2SLC6A3SLC6A4MGAMGAA | |
| SCHEMBL29635938 | 0.80 | ESR2 (0.43) | EPHX2SLC6A3SLC6A4ALDH1A1ESR1 | |
| SCHEMBL8681546 | 0.78 | SLC6A3 (0.37) | SLC6A3SLC6A4 | |
| SCHEMBL397866 | 0.73 | SLC6A3 (0.31) | SLC6A3 | |
| SCHEMBL31332791 | 0.70 | SLC6A3 (0.42) | SLC6A3SLC6A4ESR1 | |
| SCHEMBL11244400 | 0.70 | SLC6A3 (0.39) | EPHX2SLC6A3SLC6A4ALDH1A1KMT2A | |
| SCHEMBL9126560 | 0.70 | SLC6A3 (0.31) | SLC6A3 | |
| SCHEMBL11216817 | 0.69 | — | — | |
| SCHEMBL9384024 | 0.69 | EPHX2 (0.39) | EPHX2SLC6A3SLC6A4ALDH1A1KMT2A | |
| SCHEMBL3703757 | 0.68 | ESR2 (0.42) | ALDH1A1ESR1KDM4ECHRNB2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101663331-B | Use of a combination chain transfer and activating agent to control molecular weight and optical density of pd catalyzed norbornene polymers | PROMERUS LLC | 2012-08-29 | — | — | CN | disclosed |
| CN-101663331-A | Use of a combination chain transfer and activating agent to control molecular weight and optical density of pd catalyzed norbornene polymers | PROMERUS LLC | 2010-03-03 | — | — | CN | disclosed |