Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.60 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3629654 | 0.93 | TSHR (0.59) | TSHRSLC22A1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL28129614 | 0.91 | TSHR (0.56) | TSHRSLC22A1SLC22A2ALDH1A1TP53 | |
| Hydrogen Sulfide SCHEMBL28156175 | 0.84 | — | — | |
| SCHEMBL3402684 | 0.83 | SLC22A1 (0.62) | TSHRSLC22A1SLC22A2ALDH1A1TP53 | |
| SCHEMBL3395180 | 0.83 | SLC22A1 (0.62) | TSHRSLC22A1SLC22A2ALDH1A1TP53 | |
| SCHEMBL10256740 | 0.83 | TSHR (0.59) | TSHRSLC22A1SLC22A2SMN1; SMN2DNM1 | |
| SCHEMBL11758406 | 0.82 | TSHR (0.50) | TSHRSLC22A1SLC22A2ALDH1A1DNM1 | |
| Tetrabuthylammonium SCHEMBL15822811 | 0.81 | SLC22A1 (0.71) | TSHRSLC22A1SLC22A2ALDH1A1TP53 | |
| SCHEMBL27494430 | 0.81 | TSHR (0.81) | TSHRSLC22A1SLC22A2ALDH1A1CYP3A4 | |
| Water SCHEMBL27972168 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1742976-B1 | LOW-VISCOSITY ALLOPHANATES HAVING ACTINICALLY HARDENABLE GROUPS | BAYER MATERIALSCIENCE AG (DE) | 2010-09-15 | — | — | EP | claimed |
| EP-1727846-A1 | PRODUCTION OF NOVEL RADIATION-HARDENING BINDING AGENTS | Bayer MaterialScience AG (DE) | 2006-12-06 | — | — | EP | claimed |
| WO-2005092943-A1 | PRODUCTION OF NOVEL RADIATION-HARDENING BINDING AGENTS | BAYER MATERIALSCIENCE AG (DE) | 2005-10-06 | — | — | WO | claimed |