Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL1595410 | 0.89 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1TDP1 | |
| SCHEMBL29662014 | 0.89 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1TDP1 | |
| SCHEMBL163526 | 0.85 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TRPA1TDP1 | |
| SCHEMBL28249769 | 0.85 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TRPA1TDP1 | |
| SCHEMBL27985693 | 0.85 | CYP3A4 (0.61) | CYP3A4GABRA1GABRB2TRPA1TDP1 | |
| SCHEMBL11236337 | 0.82 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL1996911 | 0.82 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL17170062 | 0.82 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1TSHR | |
| SCHEMBL59215 | 0.82 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL29648824 | 0.82 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104781288-B | Process for producing terminal-modified polybutadiene or terminal-modified hydrogenated polybutadiene, and composition containing same | 日本曹达株式会社 | 2018-04-20 | — | — | CN | disclosed |