Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9439844 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2 | |
| SCHEMBL8091744 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP3A4 | |
| SCHEMBL5755833 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2 | |
| SCHEMBL27319048 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL27338541 | 0.72 | MEN1 (0.36) | ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2 | |
| SCHEMBL9439755 | 0.72 | ALDH1A1 (0.41) | ALDH1A1PDE5APDE4APDE4BPDE4C | |
| SCHEMBL9557728 | 0.72 | ALDH1A1 (0.41) | ALDH1A1PDE5APDE4APDE4BPDE4C | |
| SCHEMBL9439981 | 0.70 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL9439803 | 0.70 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL9440138 | 0.69 | PDE5A (0.33) | ALDH1A1PDE5APDE4APDE4BPDE4C |
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-1046522-A | Alicyclic diamine and vulcabond of alicyclic ring and polyisocyanate root close isocyanuric acid ester and preparation method thereof | MITSUI TOATSU CHEMICALS (JP) | 1990-10-31 | — | — | CN | disclosed |