Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799758 | 0.88 | NQO1 (0.52) | CA12CA1CA7CA9CA14 | |
| SCHEMBL10986380 | 0.85 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10983336 | 0.85 | NQO1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL126703 | 0.81 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12093645 | 0.80 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8888440 | 0.80 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14183054 | 0.78 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24075695 | 0.77 | APLNR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12093386 | 0.77 | HTT (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24993556 | 0.77 | CA12 (0.47) | CA12CA1CA2CA7CA9 |
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-4497815-A | 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients | Ozaki, Shoichiro (JP) | 1985-02-05 | — | — | US | disclosed |