Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TPH1 | P17752 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12493663 | 0.85 | CPA1 (0.50) | CPA1PPARGPPARAALDH1A1TRPA1 | |
| SCHEMBL12493666 | 0.85 | CPA1 (0.50) | CPA1PPARGPPARAALDH1A1TRPA1 | |
| SCHEMBL3961925 | 0.83 | CYP1A2 (0.55) | CPA1MME | |
| SCHEMBL2928010 | 0.83 | CYP1A2 (0.55) | CPA1MME | |
| SCHEMBL12493076 | 0.82 | CPA1 (0.42) | CPA1PPARGPPARASMN1; SMN2ALDH1A1 | |
| SCHEMBL12493081 | 0.82 | CPA1 (0.42) | CPA1PPARGPPARASMN1; SMN2ALDH1A1 | |
| SCHEMBL4088287 | 0.82 | PPARG (0.44) | PPARGPPARAFFAR1KMT2A | |
| SCHEMBL31375741 | 0.82 | MME (0.50) | PPARGPPARAKMT2AMME | |
| SCHEMBL31375737 | 0.82 | PPARG (0.50) | PPARGPPARA | |
| Hydrochloric Acid SCHEMBL9514047 | 0.81 | CYP1A2 (0.53) | CPA1MME |
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 |
|---|---|---|---|---|---|---|---|
| CN-119219557-A | Preparation method of beta, gamma-unsaturated nitrile compound | 苏州大学 | 2024-12-31 | — | — | CN | disclosed |