Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20031375 | 0.92 | CA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4731536 | 0.88 | CA1 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28878705 | 0.81 | NOTUM (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2747144 | 0.81 | TSHR (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14301421 | 0.80 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3351858 | 0.80 | ATM (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2624952 | 0.80 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11264625 | 0.78 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12993691 | 0.78 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4731090 | 0.78 | CA12 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018061032-A1 | TWELVE-ARMED HEXAPHENYLBENZENE-BASED GIANT SUPRAMOLECULAR SPONGE FOR MOLECULAR INCLUSION AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2018-04-05 | — | — | WO | disclosed |