Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | UCHL3 | P15374 | 2/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628329 | 0.90 | NPC1 (0.36) | ALDH1A1UCHL3UCHL1MAPTMEN1 | |
| SCHEMBL13628327 | 0.85 | NPC1 (0.35) | ALDH1A1UCHL3UCHL1MAPTMEN1 | |
| SCHEMBL13910954 | 0.84 | NPC1 (0.36) | ALDH1A1MEN1KMT2ALMNAPOLB | |
| SCHEMBL13628215 | 0.84 | NPC1 (0.36) | ALDH1A1MEN1KMT2ALMNAPOLB | |
| SCHEMBL13628315 | 0.82 | POLB (0.37) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL13628157 | 0.81 | MEN1 (0.38) | MAPTMEN1KMT2ALMNAPOLB | |
| SCHEMBL13910815 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL13628271 | 0.80 | MAPK8 (0.36) | ALDH1A1UCHL3MAPTLMNAPOLB | |
| SCHEMBL13628248 | 0.80 | NPC1 (0.38) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL13628319 | 0.80 | HPGD (0.40) | ALDH1A1MAPTMEN1KMT2APOLB |
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-7612065-B2 | Inhibitors of c-JUN N-terminal kinases (JNK) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-03 | — | — | US | disclosed |