Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL113393 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL113394 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL7373318 | 0.84 | ALDH1A1 (0.44) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL25179254 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ATMNAAATSHRHPGD | |
| Hydrochloric Acid SCHEMBL9588194 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ATMNAAATSHRHPGD | |
| Hydrochloric Acid SCHEMBL7703133 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ATMNAAATSHRHPGD | |
| Hydrochloric Acid SCHEMBL7377199 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL14844667 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL7491334 | 0.80 | ALDH1A1 (0.47) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL9393815 | 0.80 | ALDH1A1 (0.47) | ALDH1A1ATMNAAATSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581465-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU Services, Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004058701-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU SERVICES, INC. (US) | 2004-07-15 | — | — | WO | disclosed |