Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12473529 | 0.82 | NOS1 (0.33) | NOS1ALDH1A1CYP3A4MAPTCYP2D6 | |
| SCHEMBL13680210 | 0.80 | NOS1 (0.32) | NOS1ALDH1A1CYP3A4MAPTCYP2D6 | |
| SCHEMBL14140839 | 0.74 | — | — | |
| SCHEMBL21590038 | 0.74 | — | — | |
| SCHEMBL18756018 | 0.73 | — | — | |
| SCHEMBL29106 | 0.71 | — | — | |
| SCHEMBL14140913 | 0.67 | — | — | |
| SCHEMBL803572 | 0.66 | — | — | |
| SCHEMBL19298593 | 0.65 | — | — | |
| SCHEMBL16852704 | 0.65 | — | — |
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-2560972-B1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2017-09-20 | — | — | EP | disclosed |