Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 4/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2506281 | 0.91 | TSHR (0.61) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL30924863 | 0.91 | TSHR (0.61) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL1162469 | 0.78 | TSHR (0.53) | TSHRBLMCYP3A4NFKB1HPGD | |
| SCHEMBL12918949 | 0.76 | TSHR (0.58) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL1360247 | 0.75 | TRPA1 (0.59) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL85711 | 0.75 | TSHR (0.58) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL11187053 | 0.75 | TSHR (0.57) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| Formic Acid SCHEMBL27641585 | 0.75 | TRIM24 (0.58) | CXCL12CXCR4TRIM24ALDH1A1HPGD | |
| SCHEMBL16212030 | 0.74 | TSHR (0.55) | TSHRBLMNPSR1CYP3A4NFKB1 | |
| SCHEMBL3988408 | 0.74 | ALDH1A1 (0.47) | TSHRBLMNPSR1CYP3A4NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0876391-B1 | NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS | ESTEE LAUDER INC (US) | 2000-08-16 | — | — | EP | claimed |