Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12350175 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL12350173 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL27868942 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL12350169 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL9898944 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL9898940 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL4077302 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL12350209 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL10197985 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL27851984 | 0.76 | PTPRC (0.55) | ALDH1A1KMT2AMAPTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102652129-A | Amino oxazine derivatives | HOFFMANN LA ROCHE | 2012-08-29 | — | — | CN | disclosed |
| CN-102421760-A | Dihydropyrimidinones useful as BACE2 inhibitors | HOFFMANN LA ROCHE | 2012-04-18 | — | — | CN | disclosed |