Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4092993 | 0.77 | ADRB2 (0.38) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL4090919 | 0.76 | DNM1 (0.33) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL703587 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL703595 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL557068 | 0.75 | TSHR (0.36) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL706696 | 0.73 | ADRB2 (0.35) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL705365 | 0.73 | ADRB2 (0.35) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL2127252 | 0.73 | DNM1 (0.31) | ADRB2ADRB1ADRB3DNM1 | |
| SCHEMBL4090915 | 0.71 | DNM1 (0.33) | ADRB2ADRB1ADRB3DNM1TSHR | |
| SCHEMBL1527700 | 0.70 | ADRB2 (0.41) | ADRB2ADRB1ADRB3DNM1TSHR |
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 3 patents. 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 |
| EP-2035464-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147857-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |