Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.61 |
| ▸ | CA2 | P00918 | 12/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.50 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1644131 | 0.79 | CA1 (0.59) | CA1CA2ALDH1A1CA12CA9 | |
| SCHEMBL11239744 | 0.76 | ALDH1A1 (0.61) | CA1CA2ALDH1A1FKBP1AACLY | |
| SCHEMBL1645913 | 0.76 | CA1 (1.00) | CA1CA2CA12CA9 | |
| SCHEMBL27183046 | 0.74 | ALDH1A1 (0.53) | CA1CA2ALDH1A1FKBP1AACLY | |
| SCHEMBL18422542 | 0.73 | ALDH1A1 (0.57) | ALDH1A1FKBP1AACLYACP1TP53 | |
| SCHEMBL28195439 | 0.71 | CA1 (0.61) | CA1CA2ALDH1A1CA12CA9 | |
| SCHEMBL3784731 | 0.71 | ALDH1A1 (0.55) | CA1CA2ALDH1A1FKBP1AACLY | |
| SCHEMBL27584038 | 0.71 | SOS1 (0.61) | CA1CA2ALDH1A1CA12CA9 | |
| SCHEMBL1647035 | 0.71 | CA1 (0.61) | CA1CA2CA12CA9 | |
| SCHEMBL3841821 | 0.70 | PRMT1 (0.66) | CA1CA2ALDH1A1CA9 |
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-113087687-A | Method for direct carbon-hydrogen alkynylation of thioamide-oriented aromatic hydrocarbon | 宁夏大学 | 2021-07-09 | — | — | CN | claimed |