Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 17/20 | 1.00 |
| ▸ | CA2 | P00918 | 17/20 | 1.00 |
| ▸ | CA9 | Q16790 | 12/20 | 1.00 |
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL16398287 | 0.82 | CA1 (0.70) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL16398018 | 0.81 | CA1 (0.67) | CA1CA2CA9CA12 | |
| SCHEMBL16398976 | 0.81 | CA1 (0.67) | CA1CA2CA9CA12MAPT | |
| SCHEMBL16398538 | 0.81 | CA1 (0.67) | CA1CA2CA9CA12MAPT | |
| SCHEMBL16398582 | 0.80 | CA1 (0.66) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL16398883 | 0.78 | CA1 (0.64) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL16398532 | 0.78 | CA1 (0.64) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL16398440 | 0.78 | CA1 (0.63) | CA1CA2CA9CA12 | |
| SCHEMBL28313070 | 0.78 | CA1 (0.71) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL16398233 | 0.77 | CA1 (0.63) | CA1CA2CA9CA12KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20200399196-A1 | Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof | UNIV OKLAHOMA STATE (US) | 2020-12-24 | — | — | US | disclosed |
| WO-2018187336-A1 | HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2018-10-11 | — | — | WO | disclosed |