Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL5430 | 1.00 | — | — | |
| Methylcyclopentane SCHEMBL5324036 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL866985 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL133895 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL7912061 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| Cycloheptane SCHEMBL23885013 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL3675505 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL14026664 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| SCHEMBL447245 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 | |
| Cyclohexane SCHEMBL3783181 | 1.00 | ACHE (0.43) | ACHEKMT2AEPHX1CA1CA2 |
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-6429314-B1 | USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-06 | — | — | US | claimed |