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 | |
|---|---|---|---|---|
| SCHEMBL11542504 | 0.90 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL10718865 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL11304952 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL19287284 | 0.79 | MCL1 (0.38) | ALDH1A1KDM4E | |
| SCHEMBL11219200 | 0.78 | ALDH1A1 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL11478217 | 0.76 | GRIN2D (0.35) | ALDH1A1KDM4E | |
| SCHEMBL3757247 | 0.75 | KDM4E (0.35) | ALDH1A1KDM4E | |
| SCHEMBL10890360 | 0.75 | CA1 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL9262677 | 0.75 | EPHX1 (0.38) | ALDH1A1 | |
| SCHEMBL3760053 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4157340-A | N,N'-[Bis(N-cyanoguanyl)]cystamine derivatives | BRISTOL-MEYERS COMPANY (US) | 1979-06-05 | — | — | US | disclosed |