Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL16569577 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL28340993 | 0.91 | SMN1; SMN2 (0.50) | SMN1; SMN2CA12CA1CA2CA4 | |
| 1,2-Dimethoxybenzene SCHEMBL8030772 | 0.84 | CA1 (0.65) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL27753904 | 0.83 | CA1 (0.61) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL151213 | 0.83 | CA1 (0.61) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL25434306 | 0.83 | CA1 (0.61) | SMN1; SMN2CA12CA1CA2CA4 | |
| Cyanide SCHEMBL31190156 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2CA12CA1CA2CA4 | |
| Ammonia Solution, Strong SCHEMBL4268652 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2CA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL31658961 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2CA12CA1CA2CA4 | |
| Bromide SCHEMBL28158222 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2CA12CA1CA2CA4 |
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-106045836-B | A kind of method of copper catalysis synthesis aromatic hydrocarbons or heterocycle trifluoromethyl ketone | 福州大学 | 2018-04-13 | — | — | CN | disclosed |