Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3187406 | 0.90 | DNM1 (0.40) | HTTMEN1KMT2AKCNH2DNM1 | |
| SCHEMBL5081853 | 0.88 | KCNH2 (0.34) | HTTMEN1KMT2AKCNH2LMNA | |
| SCHEMBL5883908 | 0.84 | HTT (0.34) | HTTMEN1KMT2A | |
| Cetrimonium SCHEMBL25190762 | 0.84 | DNM1 (0.44) | HTTMEN1KMT2AKCNH2DNM1 | |
| SCHEMBL6913602 | 0.84 | KCNH2 (0.44) | HTTMEN1KMT2AKCNH2DNM1 | |
| SCHEMBL9502258 | 0.84 | DNM1 (0.37) | HTTMEN1KMT2AKCNH2DNM1 | |
| SCHEMBL5080911 | 0.83 | KCNH2 (0.42) | HTTMEN1KMT2AKCNH2DNM1 | |
| SCHEMBL5884144 | 0.81 | KCNH2 (0.53) | HTTKCNH2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL4539898 | 0.81 | KCNH2 (0.53) | HTTKCNH2MAPK1SMN1; SMN2LMNA | |
| Tetrabuthylammonium SCHEMBL235424 | 0.80 | ALDH1A1 (0.40) | HTTKMT2AKCNH2SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7015185-B2 | Ammonium nitriles and the use thereof as hydrophobic bleaching activators | CLARIANT GMBH (DE) | 2006-03-21 | — | — | US | disclosed |
| US-20040266644-A1 | Ammonium nitriles and the use thereof as hydrophobic bleaching activators | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2004-12-30 | — | — | US | disclosed |