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 | |
|---|---|---|---|---|
| SCHEMBL15030378 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL31304811 | 0.75 | CA12 (0.32) | — | |
| SCHEMBL9233241 | 0.74 | PARP1 (0.31) | — | |
| SCHEMBL15658672 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11684162 | 0.71 | TP53 (0.48) | ESR1 | |
| SCHEMBL16492215 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL15041845 | 0.71 | — | — | |
| SCHEMBL1549143 | 0.69 | RAPGEF4 (0.58) | ESR1RAPGEF4 | |
| SCHEMBL3967350 | 0.69 | ALDH1A1 (0.44) | ESR1RAPGEF4 | |
| SCHEMBL23048288 | 0.68 | NOS3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |