Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29410826 | 0.97 | AKR1B1 (0.76) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| SCHEMBL30359 | 0.97 | AKR1B1 (0.76) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| SCHEMBL28842838 | 0.94 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL9621764 | 0.94 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL6767821 | 0.94 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| Iodide SCHEMBL31305035 | 0.94 | AKR1B1 (0.73) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| Methyl Alcohol SCHEMBL28299530 | 0.92 | AKR1B1 (0.70) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| Ethylene Glycol SCHEMBL28068140 | 0.90 | AKR1B1 (0.67) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| SCHEMBL30688321 | 0.87 | AKR1B1 (0.64) | AKR1B1TDP1BCAT2KDM4ECYP1A2 | |
| SCHEMBL509855 | 0.87 | AKR1B1 (0.64) | AKR1B1TDP1BCAT2KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1109879-A | 2-arylpyrimidines and herbicidal use thereof | ROHM & HAAS (US) | 1995-10-11 | — | — | CN | disclosed |