Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 6/20 | 0.41 |
| ▸ | PPARD | Q03181 | 6/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28618727 | 0.98 | CA12 (0.48) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL2641904 | 0.98 | CA12 (0.48) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL1829048 | 0.95 | CA12 (0.50) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL78938 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL4623644 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL25230061 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL5133203 | 0.93 | CA12 (0.54) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL14763241 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL1416383 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 | |
| SCHEMBL25272614 | 0.93 | CA12 (0.52) | CA12CA9CA1CA2ZDHHC20 |
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-106163514-A | Agent for preventing and treating attention deficit and hyperactivity disorder | 藤本株式会社 | 2016-11-23 | — | — | CN | disclosed |