Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8941531 | 0.89 | PTPRZ1 (0.50) | KIF11CA12CA1CA2CA9 | |
| SCHEMBL777153 | 0.86 | HTR6 (0.50) | KIF11CA12CA1CA2CA9 | |
| SCHEMBL12727382 | 0.83 | CA12 (0.50) | KIF11CA12CA1CA2CA9 | |
| SCHEMBL3910315 | 0.81 | CA12 (0.57) | KIF11CA12CA1CA2CA9 | |
| SCHEMBL8941529 | 0.79 | PTPRZ1 (0.56) | KIF11MAPK1HTTLMNASMN1; SMN2 | |
| SCHEMBL2702059 | 0.78 | ALDH1A1 (0.57) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL13088070 | 0.78 | LMNA (0.43) | KIF11CA1CA2CA9MAPK1 | |
| Biphenyl SCHEMBL31361248 | 0.77 | PTPN1 (0.56) | KIF11CA12CA1CA2CA9 | |
| SCHEMBL24721535 | 0.76 | BCL2 (0.51) | KIF11CA12CA2CA9LMNA | |
| SCHEMBL24721506 | 0.76 | PTPN5 (0.55) | KIF11CA12CA1CA2CA9 |
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-107954907-A | A kind of synthetic method of fragrance trifluoromethyl sulphones | 江南大学 | 2018-04-24 | — | — | CN | disclosed |