Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14723244 | 0.76 | NPC1 (0.34) | — | |
| SCHEMBL29981260 | 0.68 | NPC1 (0.53) | — | |
| SCHEMBL16339568 | 0.68 | DHFR (0.58) | DHFRHTT | |
| SCHEMBL16339192 | 0.68 | DHFR (0.57) | DHFRHTT | |
| SCHEMBL14722545 | 0.67 | NPC1 (0.39) | — | |
| SCHEMBL6862851 | 0.65 | DHFR (0.57) | DHFRHTT | |
| SCHEMBL11271533 | 0.64 | DHFR (0.62) | DHFRHTT | |
| SCHEMBL2673686 | 0.64 | NPC1 (0.53) | — | |
| SCHEMBL9829477 | 0.64 | DHFR (0.63) | DHFR | |
| SCHEMBL13049798 | 0.64 | NPC1 (0.53) | — |
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-2748159-A1 | SERINE/THREONINE PAK1 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026914-A1 | SERINE/THREONINE PAK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-28 | — | — | WO | disclosed |