Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27310391 | 1.00 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9203170 | 0.95 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL28983925 | 0.93 | LMNA (0.48) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9798519 | 0.91 | LMNA (0.46) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27996487 | 0.91 | LMNA (0.50) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9689391 | 0.89 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL50431 | 0.89 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL5776784 | 0.89 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL10941235 | 0.89 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL19715122 | 0.89 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 |
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-6820013-B1 | Method and device for the online analysis of solvent mixtures | MERCK PATENT GMBH (DE) | 2004-11-16 | — | — | US | disclosed |