Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 9/20 | 0.37 |
| ▸ | RXRA | P19793 | 8/20 | 0.36 |
| ▸ | RARA | P10276 | 8/20 | 0.36 |
| ▸ | RARG | P13631 | 8/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | RXRB | P28702 | 3/20 | 0.36 |
| ▸ | RXRG | P48443 | 3/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8034537 | 0.83 | CYP1A2 (0.49) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL9342959 | 0.82 | CYP1A2 (0.51) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL1782075 | 0.82 | CYP1A2 (0.47) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL3980038 | 0.80 | CYP1A2 (0.46) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL17129798 | 0.77 | CYP1A2 (0.44) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL12160497 | 0.77 | CYP1A2 (0.44) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL7171679 | 0.77 | CYP1A2 (0.44) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL15609811 | 0.76 | CYP1A2 (0.46) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL14879901 | 0.76 | CYP1A2 (0.46) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL11448119 | 0.74 | CYP1A2 (0.45) | CYP1A2HAO1RARBRXRARARA |
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-0260472-B1 | METHOD FOR THE PRODUCTION OF CYCLOALIPHATIC KETONES | FIRMENICH SA (CH) | 1991-03-13 | — | — | EP | disclosed |
| US-4900870-A | Process for the preparation of cycloaliphatic ketones | FIRMENICH S.A. (CH) | 1990-02-13 | — | — | US | disclosed |