Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28110549 | 1.00 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3HDAC4HDAC8 | |
| SCHEMBL28110010 | 0.94 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3HDAC4HDAC8 | |
| SCHEMBL28110017 | 0.92 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HDAC4HDAC8 | |
| SCHEMBL28110018 | 0.92 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HDAC4HDAC8 | |
| SCHEMBL16191051 | 0.90 | RXFP1 (0.41) | SLC6A2SLC6A4SLC6A3HDAC4HDAC8 | |
| SCHEMBL23923595 | 0.80 | ADRB1 (0.50) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL14122218 | 0.80 | OPRM1 (0.42) | HDAC4HDAC8KDM4EMDM4ALDH1A1 | |
| SCHEMBL14122215 | 0.80 | OPRM1 (0.42) | HDAC4HDAC8KDM4EMDM4ALDH1A1 | |
| SCHEMBL23923596 | 0.80 | ADRB1 (0.50) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL30317791 | 0.80 | ADRB1 (0.50) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 |
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-105384608-B | A kind of cumene amphyl and preparation method thereof | 四川海思科制药有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-107074675-A | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2017-08-18 | — | — | CN | disclosed |