Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375002 | 0.77 | ACHE (0.38) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL5382237 | 0.77 | KDM4E (0.36) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL9150060 | 0.72 | KDM4E (0.54) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL5373765 | 0.69 | MAOA (0.58) | KDM4EHSD17B10ADRA1AADRA2AADRA2B | |
| SCHEMBL30042409 | 0.65 | HTR2C (0.35) | KDM4EHSD17B10DRD2 | |
| SCHEMBL11006053 | 0.65 | KDM4E (0.46) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL12633798 | 0.64 | MAOA (0.57) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL15858421 | 0.63 | HTR1A (0.46) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL16552208 | 0.63 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL16552209 | 0.63 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAHPGDCASP1 |
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-7235519-B2 | 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones | GIVAUDAN SA (CH) | 2007-06-26 | — | — | US | disclosed |
| US-7235519-B2 | 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones | GIVAUDAN SA (CH) | 2007-06-26 | — | — | US | disclosed |