Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL9351952 | 0.76 | CYP2A6 (0.33) | ALDH1A1TSHR | |
| SCHEMBL7670119 | 0.74 | — | — | |
| SCHEMBL31331625 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHR | |
| SCHEMBL31331807 | 0.67 | ALDH1A1 (0.42) | ALDH1A1TSHR | |
| SCHEMBL2828839 | 0.66 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL31331707 | 0.65 | CA12 (0.40) | ALDH1A1TSHR | |
| SCHEMBL2566413 | 0.63 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL31331773 | 0.61 | CA12 (0.41) | ALDH1A1TSHR | |
| SCHEMBL6756846 | 0.60 | KDM4E (0.32) | ALDH1A1 | |
| SCHEMBL3474672 | 0.59 | CA1 (0.53) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991972-A1 | 5-(HYDROXYMETHYL) FURAN-2-CARBALDEHYDE (HMF) SULFONATES AND PROCESS FOR SYNTHESIS THEREOF | Archer Daniels Midland Company (US) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014179156-A1 | 5-(HYDROXYMETHYL) FURAN-2-CARBALDEHYDE (HMF) SULFONATES AND PROCESS FOR SYNTHESIS THEREOF | ARCHER DANIELS MIDLAND COMPANY (US) | 2014-11-06 | — | — | WO | disclosed |