Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 4/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4214693 | 0.81 | CA12 (0.48) | CA12CA2CA9CA1CA6 | |
| SCHEMBL28371406 | 0.81 | CA12 (0.48) | CA12CA2CA9CA1CA6 | |
| SCHEMBL17979123 | 0.80 | CYP2C9 (0.55) | CA12CA2CA9CA1CA6 | |
| SCHEMBL16060086 | 0.80 | HSD17B1 (0.44) | CA12CA2CA9CA1CA6 | |
| SCHEMBL17978693 | 0.80 | CYP2C9 (0.55) | CA12CA2CA9CA1CA6 | |
| SCHEMBL17978820 | 0.80 | CYP2C9 (0.55) | CA12CA2CA9CA1CA6 | |
| SCHEMBL29631326 | 0.80 | CYP2C9 (0.55) | CA12CA2CA9CA1CA6 | |
| SCHEMBL7072176 | 0.78 | CA12 (0.45) | CA12CA2CA9CA1CA6 | |
| SCHEMBL1643008 | 0.78 | HSD17B1 (0.53) | CA12CA2CA9CA1CA6 | |
| SCHEMBL26629506 | 0.78 | HSD17B1 (0.49) | CA12CA2CA9CA1CA6 |
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-7491840-B2 | Compound and composition containing the same | MITSUI CHEMICALS, INC. (JP) | 2009-02-17 | — | — | US | disclosed |