Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 7/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3469578 | 0.79 | AKR1C3 (0.47) | TRPV4TRPV1MRGPRX4DGAT1 | |
| SCHEMBL3469572 | 0.79 | AKR1C3 (0.47) | TRPV4TRPV1MRGPRX4DGAT1 | |
| SCHEMBL2401676 | 0.77 | TRPV1 (0.50) | TRPV4TRPV1 | |
| SCHEMBL2401668 | 0.77 | TRPV1 (0.50) | TRPV4TRPV1 | |
| SCHEMBL29417132 | 0.77 | TRPV4 (0.52) | ALDH1A1TRPV4TRPV1MAP4K4PIK3CA | |
| SCHEMBL336320 | 0.77 | TRPV4 (0.52) | ALDH1A1TRPV4TRPV1MAP4K4PIK3CA | |
| SCHEMBL7804952 | 0.74 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| SCHEMBL3113876 | 0.74 | TBXAS1 (0.47) | TRPV4TRPV1MRGPRX4DGAT1 | |
| SCHEMBL3113886 | 0.74 | TBXAS1 (0.47) | TRPV4TRPV1MRGPRX4DGAT1 | |
| SCHEMBL30469174 | 0.74 | MEN1 (0.43) | ALDH1A1TRPV4 |
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-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |