Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.52 |
| ▸ | NAAA | Q02083 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28553962 | 1.00 | CYP2C19 (0.53) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL242936 | 0.91 | CYP2C19 (0.57) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL17920350 | 0.91 | CYP2C19 (0.57) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL240891 | 0.88 | NAAA (0.53) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL28219616 | 0.88 | EPHX1 (0.55) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL5482663 | 0.85 | NAAA (0.53) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL6835383 | 0.85 | NAAA (0.60) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL3793744 | 0.84 | CYP2C19 (0.52) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL2625648 | 0.84 | CYP2C19 (0.52) | CYP2C19EPHX1NAAAHTTCYP19A1 | |
| SCHEMBL28385625 | 0.84 | CYP2C19 (0.52) | CYP2C19EPHX1NAAAHTTCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112479843-B | Preparation method of 5-methyl-3-cyclohexenone and application thereof in preparation of m-cresol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-112479843-A | Preparation method of 5-methyl-3-cyclohexenone and application thereof in preparation of m-cresol | 万华化学集团股份有限公司 | 2021-03-12 | — | — | CN | disclosed |