Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclohexanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.55 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.55 |
| ▸ | TYMP | P19971 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Cyclohexanone SCHEMBL28169268 | 0.84 | TRIM24 (0.69) | ALDH1A1TRIM24TRIM33SMN1; SMN2LMNA | |
| Cycloheptanone SCHEMBL28843909 | 0.84 | TRIM24 (0.69) | ALDH1A1TRIM24TRIM33SMN1; SMN2LMNA | |
| Cyclohexanone SCHEMBL28351148 | 0.84 | TRIM24 (0.69) | ALDH1A1TRIM24TRIM33SMN1; SMN2LMNA | |
| Cyclohexanone SCHEMBL5010013 | 0.84 | TRIM24 (0.69) | ALDH1A1TRIM24TRIM33SMN1; SMN2LMNA | |
| Cyclohexanone SCHEMBL11710354 | 0.81 | TRIM24 (0.50) | ALDH1A1TRIM24TRIM33MEN1KMT2A | |
| Cyclopentanone SCHEMBL28250684 | 0.81 | TRIM24 (0.67) | ALDH1A1TRIM24TRIM33TSHR | |
| Diethanolamine SCHEMBL28008740 | 0.81 | TSHR (0.32) | ALDH1A1TYMPSMN1; SMN2TP53CYP1A2 | |
| Cyclohexanone SCHEMBL28562518 | 0.79 | TRIM24 (0.61) | ALDH1A1TRIM24TRIM33KMT2AL3MBTL1 | |
| Cyclohexanone SCHEMBL5010011 | 0.79 | TRIM24 (0.61) | ALDH1A1TRIM24TRIM33 | |
| Cyclohexanone SCHEMBL28210843 | 0.77 | TRIM24 (0.58) | ALDH1A1TRIM24TRIM33SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981683-A | SEALANTS AND ADHESIVES DERIVED FROM POLYISOCYANATES HAVING AROMATICALLY LINKED-NCO GROUPS ARE CURED AT AMBIENT TEMPERATURES WHEN COMBINED WITH A CURING AGENT COMPRISING AN IMINO- AND ENAMINO-FUNCTIONAL COMPOUND | HUNTSMAN INTERNATIONAL LLC | 1999-11-09 | — | — | US | claimed |
| EP-0527568-B1 | Process for bonding substrates using Polyisocyanate adhesives | ICI PLC (GB) | 1996-09-11 | — | — | EP | disclosed |
| EP-0527568-A2 | Process for bonding substrates using Polyisocyanate adhesives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-17 | — | — | EP | disclosed |