Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23282565 | 0.91 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL29475334 | 0.91 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL18059789 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL8749956 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL19998701 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL28062110 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL3893119 | 0.82 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL1324131 | 0.82 | BACE1 (0.41) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL3787771 | 0.81 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4EL3MBTL1MAPT | |
| SCHEMBL13854544 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1MAPTCYP1A2 |
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-2011085781-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-07-21 | — | — | WO | disclosed |