Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956006 | 0.89 | GAA (0.45) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL29955870 | 0.87 | BCHE (0.40) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL29956135 | 0.81 | UTS2R (0.43) | ALDH1A1MAPTGAAKDM4EHTT | |
| SCHEMBL992209 | 0.81 | ACHE (0.42) | ALDH1A1GAAHTTBCHEACHE | |
| SCHEMBL4799859 | 0.81 | ALDH1A1 (0.42) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4802706 | 0.81 | RAPGEF4 (0.39) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL408195 | 0.81 | NPY2R (0.47) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL29952766 | 0.79 | ALDH1A1 (0.48) | CA2ALDH1A1MAPTKDM4ECNR2 | |
| SCHEMBL29954292 | 0.79 | MMP2 (0.41) | CA2ALDH1A1MAPTHTTCNR2 | |
| SCHEMBL4797196 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAKDM4EHTT |
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-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |