Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14397175 | 0.80 | ESR1 (0.54) | PTGS2HSD17B10PTGS1CYP1A2ALDH1A1 | |
| SCHEMBL22995639 | 0.78 | TRPA1 (0.60) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL3847992 | 0.77 | TRPA1 (0.53) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL3847994 | 0.77 | TRPA1 (0.53) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL11715588 | 0.77 | TRPA1 (0.58) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL11715595 | 0.77 | TRPA1 (0.58) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL122528 | 0.77 | AKR1C3 (0.67) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL122529 | 0.77 | AKR1C3 (0.67) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| SCHEMBL9494242 | 0.77 | TRPA1 (0.57) | TRPA1CYP2C9HDAC3HDAC4HDAC1 | |
| Ap18 5 SCHEMBL1962033 | 0.75 | TRPA1 (1.00) | TRPA1CYP2C9HDAC3HDAC4HDAC1 |
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-2021030335-A1 | A STEREOISOMERICALLY PURE NK-3 RECEPTOR ANTAGONIST AND CRYSTALLINE FORMS THEREOF | MILLENDO THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | WO | disclosed |