Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 2/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.30 |
| ▸ | SELE | P16581 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2531691 | 0.86 | CHEK1 (0.36) | XDHSLC22A12 | |
| SCHEMBL2534217 | 0.82 | LMNA (0.38) | ALDH1A1THRB | |
| SCHEMBL15509814 | 0.79 | TSHR (0.40) | ALDH1A1 | |
| SCHEMBL15509513 | 0.77 | ACHE (0.38) | ALDH1A1 | |
| SCHEMBL15509640 | 0.77 | F10 (0.40) | — | |
| SCHEMBL15509694 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL15509975 | 0.75 | RXRA (0.40) | CYP1A2ALDH1A1 | |
| SCHEMBL12219876 | 0.75 | MKNK1 (0.38) | XDHCYP11B1CYP11B2 | |
| SCHEMBL15509865 | 0.74 | F10 (0.40) | ALDH1A1 | |
| SCHEMBL2529377 | 0.73 | RXRA (0.46) | — |
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-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | claimed |