Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28143850 | 0.84 | LOXL2 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27819831 | 0.80 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28168409 | 0.79 | F2 (0.38) | MEN1KMT2A | |
| SCHEMBL475534 | 0.77 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27819865 | 0.75 | KDM4E (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28226219 | 0.74 | CTPS1 (0.36) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL147169 | 0.74 | CA1 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11363964 | 0.74 | CA1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27968758 | 0.73 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27688093 | 0.72 | TUBB4A (0.41) | 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 |
|---|---|---|---|---|---|---|---|
| CN-101868457-A | (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy | COMENTIS INC | 2010-10-20 | — | — | CN | disclosed |