Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1257245 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL1689680 | 0.79 | CA1 (0.46) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL29262773 | 0.79 | NQO1 (0.52) | TSHRTDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL182145 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL4775938 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL29085806 | 0.78 | MEN1 (0.53) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL8711942 | 0.77 | CHRM2 (0.56) | ALDH1A1AOC3TSHRMAPK1L3MBTL1 | |
| SCHEMBL1825735 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL615428 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL5806685 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CA1CA2CA12CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563799-A1 | RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND | Takasago International Corporation (JP) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011135753-A1 | RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-11-03 | — | — | WO | disclosed |
| WO-1998057925-A1 | ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-12-23 | — | — | WO | disclosed |