Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1596340 | 0.89 | CYP3A4 (0.54) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL22422833 | 0.83 | CYP3A4 (0.48) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL2154021 | 0.82 | CYP3A4 (0.52) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL6033966 | 0.82 | ALDH1A1 (0.54) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL9759885 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL3482831 | 0.80 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL30749457 | 0.79 | CYP3A4 (0.54) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL5166514 | 0.79 | CYP3A4 (0.54) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL19144394 | 0.78 | CYP3A4 (0.48) | CYP3A4TDP1ALDH1A1TSHRS100B | |
| SCHEMBL13523897 | 0.78 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1TSHRS100B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2251387-B1 | Acidic azo dyes | CLARIANT INT LTD (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010130386-A1 | ACIDIC AZO DYES | CLARIANT INTERNATIONAL LTD (CH) | 2010-11-18 | — | — | WO | disclosed |
| EP-2251387-A1 | Acidic azo dyes | Clariant International Ltd. (CH) | 2010-11-17 | — | — | EP | disclosed |
| EP-2251384-A1 | Pyrazolone monoazo dyes | Clariant International Ltd. (CH) | 2010-11-17 | — | — | EP | disclosed |
| EP-2251383-A1 | Organic compounds | Clariant International Ltd. (CH) | 2010-11-17 | — | — | EP | disclosed |