Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | RELA | Q04206 | 4/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | THPO | P40225 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CASP2 | P42575 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | F13A1 | P00488 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6437836 | 0.86 | CA1 (0.42) | CA2CA1CYP1A2THPOCYP2C19 | |
| SCHEMBL864359 | 0.77 | EPHX1 (0.59) | CA2CA1RELAEPHX1CYP1A2 | |
| SCHEMBL7870212 | 0.71 | EPHX1 (0.62) | CA2CA1RELAEPHX1CYP1A2 | |
| SCHEMBL27007022 | 0.70 | RELA (0.44) | CA2CA1RELACYP1A2THPO | |
| SCHEMBL23862451 | 0.70 | EPHX1 (0.46) | RELAEPHX1CYP1A2THPOCYP2C19 | |
| SCHEMBL28379256 | 0.70 | EPHX1 (0.66) | CA2CA1RELAEPHX1CYP1A2 | |
| SCHEMBL28375139 | 0.70 | EPHX1 (0.66) | CA2CA1RELAEPHX1CYP1A2 | |
| SCHEMBL6260144 | 0.69 | CA2 (0.51) | CA2CA1EPHX1 | |
| SCHEMBL11021489 | 0.69 | CA2 (0.51) | CA2CA1EPHX1 | |
| SCHEMBL2725750 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982286-B1 | Diene compounds and process for preparing the same | TAKASAGO PERFUMERY CO LTD (JP) | 2005-02-23 | — | — | EP | disclosed |
| US-6323174-B1 | PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-11-27 | — | — | US | disclosed |
| US-6239324-B1 | REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0982286-A2 | Diene compounds and process for preparing the same | Takasago International Corporation (JP) | 2000-03-01 | — | — | EP | disclosed |