Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA9 | Q16790 | 6/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | EDNRB | P24530 | 1/20 | 0.45 |
| ▸ | EDNRA | P25101 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839467 | 0.88 | CA12 (0.48) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL19897384 | 0.78 | CA12 (0.49) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL19897387 | 0.76 | CYP1A2 (0.49) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL257771 | 0.76 | MEN1 (0.46) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL11777280 | 0.75 | CYP2A6 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7107948 | 0.74 | MAOB (0.50) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL4249247 | 0.74 | CA12 (0.50) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL5779310 | 0.73 | MCL1 (0.46) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL11161303 | 0.73 | CA12 (0.72) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL11197940 | 0.73 | CA1 (0.55) | CA1CA2CA9EDNRBEDNRA |
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 |
|---|---|---|---|---|---|---|---|
| US-3948788-A | DIARYL SULFONES, HALOGEN-FREE AROMATIC COMPOUNDS | MONSANTO COMPANY (US) | 1976-04-06 | — | — | US | disclosed |
| US-3948787-A | DIARYL SULFONES, CARBOXYLIC ESTERS | MONSANTO COMPANY (US) | 1976-04-06 | — | — | US | disclosed |