Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754457 | 1.00 | ALDH1A1 (0.47) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL9587069 | 0.75 | ALDH1A1 (0.46) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL17236157 | 0.75 | ALDH1A1 (0.46) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL17111280 | 0.75 | ALDH1A1 (0.46) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL17231890 | 0.74 | ALDH1A1 (0.43) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL10904632 | 0.71 | ALDH1A1 (0.43) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL30913027 | 0.70 | ALDH1A1 (0.43) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL11022727 | 0.70 | ALDH1A1 (0.57) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL7637299 | 0.69 | ALDH1A1 (0.52) | ALDH1A1PTGDR2CA12CA1CA2 | |
| SCHEMBL13684187 | 0.69 | KMT2A (0.38) | ALDH1A1CA12CA1CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0453189-A1 | Process for preparing isoxazolines | von Oppolzer, Wolfgang Wilhelm R.E.J. (CH) | 1991-10-23 | — | — | EP | disclosed |