Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HMGCR | P04035 | 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 | |
|---|---|---|---|---|
| SCHEMBL1304653 | 0.78 | GABRA1 (0.33) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3678171 | 0.77 | CYP1A2 (0.33) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL26876686 | 0.76 | RARG (0.33) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4246696 | 0.76 | RXRA (0.30) | RXRAPPARG | |
| SCHEMBL18400749 | 0.74 | POLB (0.38) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3678167 | 0.73 | CYP1A2 (0.33) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16606238 | 0.73 | PTGS1 (0.39) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL26875010 | 0.72 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2947022 | 0.72 | PTGS2 (0.47) | GABRA1GABRB2CYP1A2CYP3A4TSHR | |
| SCHEMBL3678169 | 0.71 | GABRA1 (0.34) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100081770-A1 | GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2010-04-01 | — | — | US | claimed |