Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13882617 | 0.87 | CA1 (0.47) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL23854165 | 0.87 | CA1 (0.47) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL27742228 | 0.79 | CA1 (0.41) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL18845154 | 0.79 | TP53 (0.42) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL13668357 | 0.79 | TP53 (0.42) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL27738663 | 0.79 | CA1 (0.41) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL14071504 | 0.79 | TP53 (0.42) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL27738661 | 0.79 | CA1 (0.41) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL18130122 | 0.78 | NQO2 (0.48) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL18130123 | 0.78 | NQO2 (0.48) | CA1CA2CA9CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017078623-A9 | BACKGROUND-FREE FLUORESCENT PROBES FOR LIVE CELL IMAGING | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2018-03-01 | — | — | WO | disclosed |
| WO-2017078623-A1 | BACKGROUND-FREE FLUORESCENT PROBES FOR LIVE CELL IMAGING | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2017-05-11 | — | — | WO | disclosed |