Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17865596 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ALOX15NAAATRPV1CYP1A2 | |
| SCHEMBL17865597 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ALOX15NAAATRPV1CYP1A2 | |
| SCHEMBL5152477 | 0.85 | ALDH1A1 (0.47) | ALDH1A1ALOX15NAAATRPV1PTPN1 | |
| SCHEMBL5051638 | 0.85 | ALDH1A1 (0.39) | ALDH1A1ALOX15NAAATRPV1CYP1A2 | |
| SCHEMBL11694288 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ALOX15TRPV1PTPN1TSHR | |
| SCHEMBL5051640 | 0.85 | ALDH1A1 (0.39) | ALDH1A1ALOX15NAAATRPV1CYP1A2 | |
| SCHEMBL11694292 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ALOX15TRPV1PTPN1TSHR | |
| SCHEMBL5152482 | 0.85 | ALDH1A1 (0.47) | ALDH1A1ALOX15NAAATRPV1PTPN1 | |
| SCHEMBL21856602 | 0.84 | ALDH1A1 (0.59) | ALDH1A1ALOX15TRPV1PTPN1TDP1 | |
| SCHEMBL11790751 | 0.84 | ALDH1A1 (0.59) | ALDH1A1ALOX15TRPV1PTPN1TDP1 |
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-2209372-A1 | NOVEL AZETIDINONES USEFUL AS INHIBITORS OF ELASTASE | Merck Sharp & Dohme Corp. (US) | 2010-07-28 | — | — | EP | disclosed |
| WO-2009045419-A1 | NOVEL AZETIDINONES USEFUL AS INHIBITORS OF ELASTASE | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |