Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methyl Cucurbate SCHEMBL2795542 | 0.85 | AKR1C4 (0.37) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| Methyl Cucurbate SCHEMBL21400729 | 0.85 | AKR1C4 (0.37) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| Methyl Cucurbate SCHEMBL2990000 | 0.85 | AKR1C4 (0.37) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| SCHEMBL21400840 | 0.84 | AKR1C4 (0.36) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| SCHEMBL21400758 | 0.80 | AKR1C4 (0.33) | AKR1C4AKR1C3AKR1C2CNR1CNR2 | |
| SCHEMBL21400756 | 0.79 | AKR1C4 (0.33) | AKR1C4AKR1C3AKR1C2CNR1CNR2 | |
| SCHEMBL3938291 | 0.77 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| SCHEMBL21400730 | 0.77 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| SCHEMBL3936732 | 0.77 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2OXER1CNR1 | |
| SCHEMBL5966273 | 0.76 | TSHR (0.33) | — |
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-2019182527-A1 | METHYL JASMONATE DERIVATIVES AS POSSIBLE DRUG CANDIDATES FOR USE IN TREATMENT OF CANCER | T.C. ISTANBUL MEDIPOL UNIVERSITESI (TR) | 2019-09-26 | — | — | WO | disclosed |