Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | GFER | P55789 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL3698294 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TDP1TSHREPHX1 | |
| SCHEMBL3692131 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TDP1TSHREPHX1 | |
| SCHEMBL39105 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TDP1TSHREPHX1 | |
| SCHEMBL30683603 | 0.91 | HRH3 (0.44) | ALDH1A1CYP3A4TDP1TSHRHRH3 | |
| SCHEMBL28639904 | 0.85 | CYP3A4 (0.42) | ALDH1A1CYP3A4TDP1TSHREPHX1 | |
| SCHEMBL17831818 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1TSHRHRH3 | |
| SCHEMBL3694254 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL4492651 | 0.80 | HRH4 (0.38) | ALDH1A1CYP3A4HRH3HRH4RECQL | |
| 4,4'-Methylenedianiline SCHEMBL10682335 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHREPHX1 | |
| SCHEMBL14817555 | 0.74 | HRH3 (0.47) | ALDH1A1HRH3HRH4RECQLALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1756186-A1 | CATALYTIC COMPOSITIONS | SOLVAY (Société Anonyme) (BE) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005118667-A1 | CATALYTIC COMPOSITIONS | Solvay (Société Anonyme) (BE) | 2005-12-15 | — | — | WO | disclosed |