Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL23399292 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTMEN1KMT2AFLT3 | |
| SCHEMBL6487195 | 0.72 | SLC16A3 (0.38) | ALDH1A1CNR2MEN1KMT2ANPSR1 | |
| SCHEMBL4918738 | 0.68 | ALDH1A1 (0.46) | ALDH1A1MAPTKMT2ANPSR1KDM4E | |
| SCHEMBL7984267 | 0.68 | CNR2 (0.36) | CNR2SIGMAR1 | |
| SCHEMBL23399722 | 0.67 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL23399514 | 0.64 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL23400521 | 0.64 | MAPK14 (0.56) | ALDH1A1MAPTKMT2AKDM4EALOX15 | |
| SCHEMBL23402247 | 0.64 | ALDH1A1 (0.42) | ALDH1A1MAPTKMT2AOPRM1KDM4E | |
| SCHEMBL23400782 | 0.64 | ALDH1A1 (0.41) | ALDH1A1MAPTKMT2AKDM4EALOX15 | |
| SCHEMBL23400335 | 0.62 | ALDH1A1 (0.40) | ALDH1A1CNR2MAPTKMT2ANPSR1 |
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-2001090078-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |