Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7714448 | 0.81 | TSHR (0.33) | TSHRHPGDALDH1A1TP53HCAR2 | |
| SCHEMBL28920703 | 0.67 | ALDH1A1 (0.39) | TSHRHPGDALDH1A1TP53HCAR2 | |
| SCHEMBL125751 | 0.66 | ALDH1A1 (0.38) | TSHRHPGDALDH1A1TP53HCAR2 | |
| SCHEMBL8162307 | 0.66 | — | — | |
| SCHEMBL8412345 | 0.65 | CA2 (0.52) | TSHRCA2MAPK1 | |
| SCHEMBL4587180 | 0.65 | CHRM1 (0.34) | — | |
| SCHEMBL2690161 | 0.65 | CA2 (0.38) | TSHRHPGDALDH1A1TP53HCAR2 | |
| SCHEMBL141468 | 0.65 | TSHR (0.33) | TSHRHPGDALDH1A1HCAR2ATM | |
| SCHEMBL3261112 | 0.64 | CA2 (0.56) | CA2MAPK1 | |
| SCHEMBL7192141 | 0.64 | CHRM1 (0.41) | TSHRALDH1A1CA2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |