Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL64690 | 1.00 | ABCB1 (0.42) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL954434 | 0.99 | ABCB1 (0.41) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL2680751 | 0.98 | ABCB1 (0.40) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL13401854 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL20841761 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL20841749 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL10196941 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL10196888 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL10196893 | 0.95 | ABCB1 (0.39) | ABCB1CDC7ALDH1A1ADORA3ADORA1 | |
| SCHEMBL29887519 | 0.94 | CDC7 (0.43) | ABCB1CDC7ALDH1A1ADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011133800-A1 | COMPOUNDS AND METHODS FOR DETECTING REACTIVE OXYGEN SPECIES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-10-27 | — | — | WO | disclosed |