Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| SCHEMBL25754164 | 1.00 | CA2 (0.43) | CA2CA1ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL28305103 | 0.91 | S1PR2 (0.52) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL13675239 | 0.91 | S1PR2 (0.52) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL1561204 | 0.91 | S1PR2 (0.52) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL638285 | 0.86 | — | — | |
| SCHEMBL7860013 | 0.82 | CA2 (0.48) | CA2CA1ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL288356 | 0.82 | S1PR2 (0.57) | CA2CA1ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL6807748 | 0.82 | CA2 (0.48) | CA2CA1ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL6466558 | 0.82 | S1PR2 (0.57) | CA2CA1ALDH1A1SLC1A3SLC1A2 | |
| SCHEMBL5496400 | 0.82 | S1PR2 (0.57) | CA2CA1ALDH1A1SLC1A3SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014494-A1 | ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF β-AMINO-α- HYDROXY AMIDES | SCHERING CORPORATION (US) | 2011-02-03 | — | — | WO | disclosed |