Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL161022 | 0.98 | ALDH1A1 (0.33) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL169044 | 0.83 | — | — | |
| SCHEMBL851944 | 0.81 | — | — | |
| SCHEMBL2173 | 0.77 | — | — | |
| SCHEMBL455460 | 0.77 | — | — | |
| SCHEMBL28067652 | 0.75 | CYP2A6 (0.33) | — | |
| Water SCHEMBL28146617 | 0.75 | CYP2A6 (0.33) | — | |
| SCHEMBL21858595 | 0.74 | CASP6 (0.45) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL21858492 | 0.74 | CASP6 (0.45) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL5232088 | 0.72 | DYRK1A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5352196-B2 | — | — | 2013-11-27 | — | — | JP | disclosed |
| JP-2009141338-A | ORGANIC TRANSISTOR | MITSUI CHEMICALS INC | 2009-06-25 | — | — | JP | disclosed |