Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PAM | P19021 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL574410 | 0.91 | DGKA (0.55) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL11661841 | 0.91 | DGKA (0.55) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL28459823 | 0.91 | DGKA (0.55) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL27614499 | 0.90 | DGKA (0.53) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL242588 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL27467140 | 0.85 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATSHR | |
| Fluoride SCHEMBL28138819 | 0.85 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL7710533 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL2825810 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CES1CES2DGKATSHR | |
| SCHEMBL1036873 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CES1CES2DGKATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001525796-A | — | — | 2001-12-11 | — | — | JP | claimed |
| EP-0999856-A2 | RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION | Du Pont Pharmaceuticals Company (US) | 2000-05-17 | — | — | EP | claimed |
| WO-1998015295-A2 | RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-04-16 | — | — | WO | claimed |