Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | NPY1R | P25929 | 1/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.55 |
| ▸ | HRAS | P01112 | 1/20 | 0.53 |
| ▸ | KRAS | P01116 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6257552 | 0.92 | ALDH1A1 (0.58) | ALDH1A1NPY1RNPY5RHRASKRAS | |
| SCHEMBL29141912 | 0.79 | ALDH1A1 (0.65) | ALDH1A1HRASKRASPOLBTPSAB1 | |
| SCHEMBL14712382 | 0.78 | NPSR1 (0.67) | ALDH1A1NPY1RNPY5RHRASKRAS | |
| SCHEMBL6791530 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPY1RNPY5RPOLBTPSAB1 | |
| SCHEMBL10194532 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPY1RNPY5RPOLBLMNA | |
| SCHEMBL3685286 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPY1RNPY5RPOLBLMNA | |
| SCHEMBL16053212 | 0.77 | ALDH1A1 (0.67) | ALDH1A1NPY1RNPY5RPOLBTPSAB1 | |
| SCHEMBL6792727 | 0.77 | ALDH1A1 (1.00) | ALDH1A1NPY1RNPY5RLMNAGAA | |
| SCHEMBL6787532 | 0.76 | ALDH1A1 (1.00) | ALDH1A1NPY1RNPY5RPOLBLMNA | |
| SCHEMBL1928807 | 0.76 | CYP1A2 (0.67) | ALDH1A1NPY1RNPY5RPOLBTPSAB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | claimed |
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | disclosed |