Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 9/20 | 0.33 |
| ▸ | CA2 | P00918 | 9/20 | 0.33 |
| ▸ | CA9 | Q16790 | 8/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11530410 | 0.98 | EPHX2 (0.41) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11527461 | 0.98 | EPHX2 (0.41) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11526350 | 0.98 | EPHX2 (0.41) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11532021 | 0.98 | EPHX2 (0.41) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11228471 | 0.98 | EPHX2 (0.41) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11220970 | 0.94 | TSHR (0.36) | EPHX2TSHRALDH1A1TDP1CA1 | |
| SCHEMBL11535517 | 0.84 | EPHX2 (0.35) | EPHX2TSHRALDH1A1 | |
| SCHEMBL29044713 | 0.83 | EPHX2 (0.52) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL4340574 | 0.78 | EPHX2 (0.39) | EPHX2TSHRALDH1A1CA1CA2 | |
| SCHEMBL11533749 | 0.75 | — | — |
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-4134752-A | 2-HALO-ETHANE SULFINIC ACID OR ESTER | SHELL OIL COMPANY (US) | 1979-01-16 | — | — | US | claimed |
| US-4134752-A | 2-HALO-ETHANE SULFINIC ACID OR ESTER | SHELL OIL COMPANY (US) | 1979-01-16 | — | — | US | disclosed |