Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.38 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27504531 | 0.86 | AKR1B1 (0.42) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL7968570 | 0.81 | AKR1B1 (0.53) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL3633503 | 0.78 | PTGDR2 (0.54) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL2550680 | 0.77 | PTGDR2 (0.56) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL2795411 | 0.76 | DUSP3 (0.40) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL3220871 | 0.76 | DUSP3 (0.40) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL3042384 | 0.76 | DUSP3 (0.40) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| Hydrochloric Acid SCHEMBL11528572 | 0.75 | PTGDR2 (0.55) | AKR1B1CXCL8TDP1PTGS2AKR1B10 | |
| SCHEMBL12281735 | 0.74 | SLC6A2 (0.57) | AKR1B1 | |
| SCHEMBL21767593 | 0.74 | AKR1B1 (0.46) | AKR1B1CXCL8TDP1PTGS2AKR1B10 |
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-106496090-B | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2020-04-21 | — | — | CN | disclosed |