Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | XDH | P47989 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15009548 | 0.88 | TPMT (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27558932 | 0.83 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27138531 | 0.82 | KDM4E (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27603824 | 0.80 | CA12 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL841684 | 0.80 | CA12 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3097749 | 0.80 | TPMT (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27504961 | 0.80 | TSHR (0.55) | KDM4EALDH1A1POLBGFERTSHR | |
| Gallic Acid Methyl Ester SCHEMBL2573657 | 0.79 | LMNA (0.66) | CA1CA2CA12CA7CA9 | |
| Methyl 3,5-Dihydroxybenzoate SCHEMBL29467415 | 0.79 | CA12 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30281000 | 0.79 | HSD17B10 (0.39) | CA1CA2CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101687864-A | 1-cyanocyclopropyl-derivatives as cathepsin K inhibitors | ASTRAZENECA AB | 2010-03-31 | — | — | CN | disclosed |
| CN-101389625-A | Herbicidal isoxazoline compounds | SYNGENTA LTD (GB) | 2009-03-18 | — | — | CN | disclosed |