Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 19/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1766150 | 1.00 | BCHE (0.59) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL23300635 | 0.83 | BCHE (0.59) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL27721872 | 0.82 | BCHE (0.61) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL27742584 | 0.81 | F2 (0.63) | BCHEUSP2ALDH1A1HPGD | |
| SCHEMBL28896375 | 0.78 | F2 (0.51) | BCHEUSP2ALDH1A1HPGD | |
| SCHEMBL1024756 | 0.78 | BCHE (0.53) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL27652150 | 0.78 | HDAC3 (0.60) | BCHEUSP2ALDH1A1HPGD | |
| SCHEMBL17346771 | 0.77 | HPGD (0.59) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL2575072 | 0.77 | BCHE (0.55) | BCHEUSP2ALDH1A1HPGDCES2 | |
| SCHEMBL27810920 | 0.77 | BCHE (0.61) | BCHEUSP2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2319825-A1 | ENZYMATIC SYNTHESIS OF ENANTIOMERICALLY ENRICHED DERIVATIVES OF CIS- AND TRANS-CYCLOPENTANE-1,2-DIAMINES | EntreChem, S.L. (ES) | 2011-05-11 | — | — | EP | disclosed |