Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EP300 | Q09472 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | F7 | P08709 | 3/20 | 0.38 |
| ▸ | F3 | P13726 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL989904 | 1.00 | EP300 (0.46) | EP300TSHRALDH1A1F7F3 | |
| SCHEMBL289328 | 0.87 | EP300 (0.57) | EP300TSHRF7F3PPARG | |
| SCHEMBL29186895 | 0.87 | EP300 (0.57) | EP300TSHRF7F3PPARG | |
| SCHEMBL28049691 | 0.87 | EP300 (0.57) | EP300TSHRF7F3PPARG | |
| SCHEMBL289331 | 0.87 | EP300 (0.57) | EP300TSHRF7F3PPARG | |
| SCHEMBL15365004 | 0.85 | EP300 (0.54) | EP300TSHRF7F3PPARG | |
| SCHEMBL15365002 | 0.85 | EP300 (0.54) | EP300TSHRF7F3PPARG | |
| Hexanal SCHEMBL28090689 | 0.75 | TSHR (0.65) | TSHRALDH1A1F7F3PPARG | |
| Decane SCHEMBL27826777 | 0.72 | TSHR (0.53) | TSHRALDH1A1LMNAHSD17B10PTGS1 | |
| Heptane SCHEMBL28217514 | 0.72 | TSHR (0.53) | TSHRALDH1A1LMNAHSD17B10PTGS1 |
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-2477594-A1 | ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY | Vanderbilt University (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011008202-A1 | ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY | VANDERBILT UNIVERSITY (US) | 2011-01-20 | — | — | WO | disclosed |