Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | WNT3A | P56704 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18237188 | 0.85 | PDE2A (0.61) | PDE2ACTNNB1WNT3AALDH1A1ACACB | |
| SCHEMBL20901338 | 0.81 | PDE2A (0.50) | PDE2ACTNNB1WNT3AACACB | |
| SCHEMBL29918974 | 0.81 | PDE2A (0.50) | PDE2ACTNNB1WNT3AACACB | |
| SCHEMBL16989305 | 0.77 | CTNNB1 (0.47) | PDE2ACTNNB1WNT3AACACB | |
| SCHEMBL29085951 | 0.77 | CTNNB1 (0.47) | PDE2ACTNNB1WNT3AACACB | |
| SCHEMBL22902082 | 0.75 | SMYD3 (0.53) | PDE2ASMN1; SMN2CTNNB1WNT3AKMT2A | |
| SCHEMBL20901313 | 0.74 | PDE2A (0.48) | PDE2ACTNNB1WNT3AALDH1A1ACACB | |
| SCHEMBL27046445 | 0.74 | PDE2A (0.48) | PDE2ACTNNB1WNT3AALDH1A1ACACB | |
| SCHEMBL16868061 | 0.74 | PDE2A (1.00) | PDE2A | |
| SCHEMBL1101522 | 0.74 | ALDH1A1 (0.77) | SMN1; SMN2NPC1ALDH1A1LMNAMEN1 |
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-119684070-A | HFIP power assisting C (sp3) Direct methylation method of-H bond and application thereof | 西南大学 | 2025-03-25 | — | — | CN | disclosed |