Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL7787248 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL7787117 | 0.89 | HIF1A (0.45) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL7787118 | 0.89 | HIF1A (0.45) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL7785155 | 0.85 | ALDH1A1 (0.41) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL7785156 | 0.85 | ALDH1A1 (0.41) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL10543899 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL10543906 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL10543888 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX5PPARGPPARANPC1 | |
| SCHEMBL5597204 | 0.85 | ALDH1A1 (0.47) | ALDH1A1PPARGPPARANPC1RAB9A | |
| SCHEMBL934854 | 0.82 | ALOX5 (0.56) | ALDH1A1ALOX5PPARGPPARANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251949-B1 | AGRICULTURAL FUNGICIDE, ALSO HAS TACHYKININ RECEPTOR ANTAGONSITIC EFFECT, AND THUS IS USEFUL AS PHARMECEUTICAL | SHIONOGI & CO., LTD. (JP) | 2001-06-26 | — | — | US | disclosed |
| US-6096741-A | FUNGICIDES, TACHYKININ ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| EP-0940388-A1 | OXIME DERIVATIVES, HYDRAZONE DERIVATIVES, AND USE THEREOF | SHIONOGI & CO., LTD. (JP) | 1999-09-08 | — | — | EP | disclosed |