Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7786991 | 1.00 | CA2 (0.44) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL953785 | 0.83 | CA2 (0.46) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL953786 | 0.83 | CA2 (0.46) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL2052029 | 0.82 | NPC1 (0.44) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL2052031 | 0.82 | NPC1 (0.44) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL9898038 | 0.81 | CA2 (0.45) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL9898039 | 0.81 | CA2 (0.45) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL28790109 | 0.81 | CA2 (0.45) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL28160464 | 0.81 | CA2 (0.45) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL27493474 | 0.78 | CA2 (0.43) | CA2CA1CA9CA12ALDH1A1 |
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 |