Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11530451 | 0.94 | EPHX2 (0.38) | TSHRTDP1EPHX2ALDH1A1CA1 | |
| SCHEMBL11526350 | 0.92 | EPHX2 (0.41) | TSHREPHX2ALDH1A1CA1CA2 | |
| SCHEMBL11228471 | 0.92 | EPHX2 (0.41) | TSHREPHX2ALDH1A1CA1CA2 | |
| SCHEMBL11530410 | 0.92 | EPHX2 (0.41) | TSHREPHX2ALDH1A1CA1CA2 | |
| SCHEMBL11527461 | 0.92 | EPHX2 (0.41) | TSHREPHX2ALDH1A1CA1CA2 | |
| SCHEMBL11532021 | 0.92 | EPHX2 (0.41) | TSHREPHX2ALDH1A1CA1CA2 | |
| SCHEMBL4340574 | 0.84 | EPHX2 (0.39) | TSHREPHX2ALDH1A1CYP3A4ADRB2 | |
| SCHEMBL11531478 | 0.81 | — | — | |
| SCHEMBL11535517 | 0.79 | EPHX2 (0.35) | TSHREPHX2ALDH1A1 | |
| SCHEMBL11230328 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4359334-A | N-HETEROCYCLIC AMIDE AND A 2-HALOETHYLSULFINATE | GAF CORPORATION (US) | 1982-11-16 | — | — | US | claimed |
| US-4134752-A | 2-HALO-ETHANE SULFINIC ACID OR ESTER | SHELL OIL COMPANY (US) | 1979-01-16 | — | — | US | claimed |
| US-4359334-A | N-HETEROCYCLIC AMIDE AND A 2-HALOETHYLSULFINATE | GAF CORPORATION (US) | 1982-11-16 | — | — | US | disclosed |
| US-4134752-A | 2-HALO-ETHANE SULFINIC ACID OR ESTER | SHELL OIL COMPANY (US) | 1979-01-16 | — | — | US | disclosed |