Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27593186 | 0.88 | KDM4E (0.38) | TAAR1CA1CA2CA9CA12 | |
| Acrylamide SCHEMBL28139345 | 0.87 | THRA (0.39) | CA1CA2CA9CA12CA5A | |
| SCHEMBL27688793 | 0.83 | TAAR1 (0.44) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL27701983 | 0.83 | TAAR1 (0.46) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL27669601 | 0.81 | TAAR1 (0.43) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL11406141 | 0.81 | CA2 (0.52) | CA1CA2CA9CA12CA5A | |
| SCHEMBL7364123 | 0.81 | ALDH1A1 (0.38) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL7365128 | 0.80 | TAAR1 (0.42) | TAAR1CA1CA2CA9CA12 | |
| Ethane SCHEMBL7364126 | 0.80 | SLC22A6 (0.40) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL28765882 | 0.80 | PNMT (0.32) | TAAR1CA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110446716-A | Process for the preparation of 2-exo- (2-methylbenzyloxy) -1-methyl-4-isopropyl-7-oxabicyclo [2.2.1] heptane | BASF AGRO BV | 2019-11-12 | — | — | CN | disclosed |
| CN-110337438-A | Process for the preparation of 2-exo- (2-methylbenzyloxy) -1-methyl-4-isopropyl-7-oxabicyclo [2.2.1] heptane | 巴斯夫农业公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-109790174-A | Be used to prepare 2- it is outer-method of (2- methylbenzyloxy) -1- methyl -4- isopropyl -7- oxabicyclo [2.2.1] heptane | 巴斯夫农业公司 | 2019-05-21 | — | — | CN | disclosed |