Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931031 | 1.00 | CYP3A4 (0.40) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL804268 | 1.00 | CYP3A4 (0.40) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL10338630 | 0.93 | CYP3A4 (0.41) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL13872437 | 0.93 | CYP3A4 (0.41) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL2343860 | 0.93 | CYP3A4 (0.41) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL72728 | 0.93 | CYP3A4 (0.41) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL16488733 | 0.88 | CYP3A4 (0.39) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL12517672 | 0.88 | CYP3A4 (0.42) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL2225790 | 0.88 | CYP3A4 (0.39) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 | |
| SCHEMBL13707926 | 0.88 | CYP3A4 (0.39) | CYP3A4HPGDSTAT3CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6245328-B1 | USING MIXTURE CONTAINING STEREOISOMER OF 3-HYDROXYHEXAN-2-ONE AND TWO STEREOISOMERS OF HEXANE-2,3-DIOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-12 | — | — | US | disclosed |