Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRIM24 | O15164 | 2/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10080619 | 1.00 | TRIM24 (0.42) | TRIM24TRIM33ALDH1A1CYP2A6MAOA | |
| SCHEMBL12659383 | 1.00 | — | — | |
| SCHEMBL761327 | 0.97 | — | — | |
| SCHEMBL1072352 | 0.90 | — | — | |
| Benzene SCHEMBL28751495 | 0.82 | HTT (0.40) | ALDH1A1CYP2A6MAOAMAOB | |
| Ethylene SCHEMBL9365020 | 0.76 | ALDH1A1 (0.50) | TRIM24TRIM33ALDH1A1CYP2A6MAOA | |
| SCHEMBL2322944 | 0.75 | ALDH1A1 (0.57) | TRIM24TRIM33ALDH1A1CYP2A6MAOA | |
| SCHEMBL2493977 | 0.75 | ALDH1A1 (0.57) | TRIM24TRIM33ALDH1A1CYP2A6MAOA | |
| SCHEMBL7633862 | 0.75 | TRIM24 (0.38) | TRIM24TRIM33ALDH1A1 | |
| SCHEMBL8951634 | 0.75 | — | — |
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-1313692-A1 | NOVEL MACROCYCLIC KETONES | HAARMANN & REIMER GMBH (DE) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002012157-A1 | NOVEL MACROCYCLIC KETONES | HAARMANN & REIMER GMBH (DE) | 2002-02-14 | — | — | WO | disclosed |