Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL7210847 | 0.98 | AKR1B1 (0.57) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| Ethylene Glycol SCHEMBL28068140 | 0.89 | AKR1B1 (0.67) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| SCHEMBL11544667 | 0.88 | AKR1B1 (0.55) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| Ether SCHEMBL8432662 | 0.88 | AKR1B1 (0.47) | AKR1B1TDP1BCAT2CXCL8FFAR1 | |
| SCHEMBL29410826 | 0.86 | AKR1B1 (0.76) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| SCHEMBL30359 | 0.86 | AKR1B1 (0.76) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| SCHEMBL10533147 | 0.86 | AKR1B1 (0.53) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| Hydrochloric Acid SCHEMBL6767821 | 0.84 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| Iodide SCHEMBL31305035 | 0.84 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2CXCL8KDM4E | |
| SCHEMBL28842838 | 0.84 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2CXCL8KDM4E |
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-2010031517-A1 | RADIOACTIVELY MARKED CYCLOPROPANE DERIVATIVES OF DAT AFFINE TROPANES | Johannes Gutenberg-Universität Mainz (DE) | 2010-03-25 | — | — | WO | disclosed |