Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3456843 | 0.98 | CA2 (0.57) | CA2CYP4F2CYP4A11HTR2AABAT | |
| SCHEMBL6612634 | 0.91 | CA2 (0.55) | CA2CYP4F2CYP4A11HTR2AABAT | |
| SCHEMBL23837668 | 0.88 | CA2 (0.63) | CA2CYP4F2CYP4A11HTR2AESR1 | |
| SCHEMBL4195590 | 0.88 | CA2 (0.63) | CA2CYP4F2CYP4A11HTR2AESR1 | |
| SCHEMBL31512262 | 0.88 | CA2 (0.63) | CA2CYP4F2CYP4A11HTR2AESR1 | |
| SCHEMBL3424786 | 0.88 | CA2 (0.63) | CA2CYP4F2CYP4A11HTR2AESR1 | |
| SCHEMBL9670730 | 0.88 | CA2 (0.63) | CA2CYP4F2CYP4A11HTR2AESR1 | |
| SCHEMBL11133543 | 0.87 | CA2 (0.47) | CA2CYP4F2CYP4A11HTR2AABAT | |
| SCHEMBL11134036 | 0.87 | CA2 (0.47) | CA2CYP4F2CYP4A11HTR2AABAT | |
| SCHEMBL11133223 | 0.87 | CYP4A11 (0.54) | CA2CYP4F2CYP4A11LOXL2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035049-A1 | DEGRADATION AGENTS FOR CYCLIN DEPENDENT KINASE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2020-02-20 | — | — | WO | disclosed |