Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4155581 | 0.81 | — | — | |
| SCHEMBL4092992 | 0.80 | ADRB2 (0.39) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL14777354 | 0.80 | — | — | |
| SCHEMBL1315288 | 0.77 | — | — | |
| SCHEMBL4075267 | 0.75 | ADRB2 (0.45) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL49555 | 0.75 | ADRB2 (0.45) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL29053698 | 0.73 | ADRB2 (0.43) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL9796521 | 0.73 | ADRB2 (0.43) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL119150 | 0.73 | — | — | |
| SCHEMBL93421 | 0.73 | ADRB2 (0.43) | ADRB2ADRB1ADRB3TSHRCYP3A4 |
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-20090198028-A1 | 1,2-dithiol-3-thiones as chain-transfer agents in free-radical polymerization reactions | BASF SE (DE) | 2009-08-06 | — | — | US | disclosed |