Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17428576 | 1.00 | ALDH1A1 (0.32) | ALDH1A1TDP1SCN9A | |
| SCHEMBL15536229 | 0.82 | EPHX1 (0.34) | ALDH1A1TDP1SCN9A | |
| SCHEMBL28233959 | 0.82 | SCN9A (0.33) | ALDH1A1TDP1SCN9A | |
| SCHEMBL9929369 | 0.77 | — | — | |
| SCHEMBL12643776 | 0.77 | ALDH1A1 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL16449045 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL17858275 | 0.77 | — | — | |
| SCHEMBL18643835 | 0.74 | KDM4E (0.37) | ALDH1A1TDP1 | |
| SCHEMBL20959952 | 0.74 | ALDH1A1 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL19454847 | 0.73 | ALDH1A1 (0.33) | ALDH1A1TDP1 |
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-3166939-B1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH INC (US) | 2019-06-05 | — | — | EP | disclosed |