Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.64 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL57364 | 0.84 | GABRA1 (0.64) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL10849701 | 0.82 | CA2 (0.46) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| Butane SCHEMBL27461547 | 0.80 | GABRA1 (0.84) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL29407049 | 0.79 | GABRA1 (1.00) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL2120430 | 0.79 | GABRA1 (0.75) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL29361007 | 0.79 | GABRA1 (0.75) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL56224 | 0.79 | GABRA1 (1.00) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL5078048 | 0.78 | CA2 (0.43) | GABRA1GABRB2ALDH1A1TRPA1CA2 | |
| SCHEMBL5078077 | 0.78 | CA2 (0.43) | GABRA1GABRB2ALDH1A1CA2HPGD | |
| SCHEMBL5704783 | 0.78 | GABRA1 (0.56) | GABRA1GABRB2ALDH1A1TRPA1CA2 |
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-20080146759-A1 | Sulfur-Containing Compound, Method for Producing Same, Sulfur-Containing Polymer, and Optical Material | IDEMITSU KOSAN CO., LTD (JP) | 2008-06-19 | — | — | US | disclosed |