Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL5132995 | 0.87 | ALDH1A1 (0.56) | CA12CA1CA2CA9CA14 | |
| Phenol SCHEMBL7702440 | 0.85 | ALDH1A1 (0.59) | CA12CA1CA2CA9CA14 | |
| Biphenyl SCHEMBL5571790 | 0.84 | TSHR (0.54) | TSHRGAAALDH1A1MAPTKMT2A | |
| Phenol SCHEMBL1348208 | 0.83 | ALOX15 (0.60) | CA12CA1CA2CA9CA14 | |
| Diethyl Pyrocarbonate SCHEMBL27579581 | 0.83 | SOAT1 (0.60) | CA12CA1CA2CA9CA14 | |
| Ethyl Propionate SCHEMBL6266819 | 0.83 | GAA (0.53) | CA12CA1CA2CA9CA14 | |
| Phenol SCHEMBL9506782 | 0.83 | ALOX15 (0.60) | CA12CA1CA2CA9CA14 | |
| Malonic Acid Diethyl Ester SCHEMBL6129174 | 0.83 | GAA (0.60) | CA12CA1CA2CA9CA14 | |
| Phenol SCHEMBL5006868 | 0.82 | PIN1 (0.51) | CA12CA1CA2CA9CA14 | |
| Ethyl Benzoate SCHEMBL9619024 | 0.82 | CA12 (0.75) | CA12CA1CA2CA9CA14 |
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-1115822-B1 | USE OF CATIONIC MATERIALS AND COMPOSITIONS | UNILEVER PLC (GB) | 2006-01-11 | — | — | EP | disclosed |
| EP-1115822-A1 | USE OF CATIONIC MATERIALS AND COMPOSITIONS | UNILEVER PLC (GB) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017297-A1 | USE OF CATIONIC MATERIALS AND COMPOSITIONS | UNILEVER PLC (GB) | 2000-03-30 | — | — | WO | disclosed |