Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1305927 | 0.81 | DRD3 (0.44) | — | |
| SCHEMBL8183019 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGD | |
| SCHEMBL28466585 | 0.80 | ELANE (0.59) | ELANE | |
| SCHEMBL9417135 | 0.78 | GAA (0.62) | ALDH1A1 | |
| SCHEMBL2578105 | 0.78 | GLS (0.46) | — | |
| SCHEMBL6275366 | 0.78 | CA12 (0.44) | ALDH1A1HPGD | |
| SCHEMBL9858209 | 0.76 | GAA (0.51) | ALDH1A1 | |
| SCHEMBL1626840 | 0.76 | CA12 (0.52) | ALDH1A1 | |
| SCHEMBL2815497 | 0.76 | TSHR (0.51) | — | |
| SCHEMBL17019828 | 0.75 | — | — |
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-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | disclosed |