Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 3/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14358816 | 0.88 | KEAP1 (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL14358814 | 0.88 | KEAP1 (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL15836266 | 0.82 | KEAP1 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3554742 | 0.82 | KEAP1 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL687551 | 0.81 | CA1 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL687552 | 0.81 | CA1 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL15218448 | 0.81 | KEAP1 (0.67) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12054668 | 0.78 | KEAP1 (0.75) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL688839 | 0.78 | ALDH1A1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13508329 | 0.78 | NR3C2 (0.49) | CA12CA1CA2CA9ALDH1A1 |
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-100439332-C | Novel thiourea derivatives and the pharmaceutical compositions containing thd same | PACFIC CORP (KR) | 2008-12-03 | — | — | CN | disclosed |
| CN-1418191-A | Novel thiourea derivatives and pharmaceutical compositions containing the same | PACFIC CORP (KR) | 2003-05-14 | — | — | CN | disclosed |