Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 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 | |
|---|---|---|---|---|
| 4,4'-Methylenedianiline SCHEMBL29147413 | 0.90 | ABAT (0.61) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL214899 | 0.87 | — | — | |
| SCHEMBL28553043 | 0.87 | CYP2A6 (0.52) | ALDH1A1CYP3A4TSHRTDP1CYP19A1 | |
| SCHEMBL3976211 | 0.87 | CYP2A6 (0.52) | ALDH1A1CYP3A4TSHRTDP1TYR | |
| SCHEMBL28362581 | 0.85 | CYP2A6 (0.50) | ALDH1A1CYP3A4TSHRTDP1CYP19A1 | |
| Hydrochloric Acid SCHEMBL28738883 | 0.85 | CYP2A6 (0.50) | ALDH1A1CYP3A4TSHRTDP1CYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL10487209 | 0.83 | CYP3A4 (0.70) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| 4,4'-Methylenedianiline SCHEMBL9401894 | 0.83 | CYP3A4 (0.70) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| Ethylene SCHEMBL10458293 | 0.82 | TYR (0.48) | ALDH1A1CYP3A4TSHRTDP1CYP19A1 | |
| SCHEMBL8094139 | 0.82 | CYP3A4 (1.00) | ALDH1A1CYP3A4TSHRTDP1CA12 |
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-1521795-B1 | HEAT-SENSITIVE POLYMERS AND HEAT REVERSIBLE GELS DERIVED THEREFROM | POLYMEREXPERT SA (FR) | 2012-03-14 | — | — | EP | disclosed |