Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL8 | P10145 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | TTR | P02766 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.44 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843305 | 0.82 | CXCL8 (0.50) | CXCL8ALDH1A1CYP2C9PTGS2TTR | |
| SCHEMBL1765008 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HPGDGAAKDM4ELMNA | |
| SCHEMBL3743443 | 0.78 | KDM4E (0.43) | CXCL8ALDH1A1PTGS2TTRPTGS1 | |
| SCHEMBL15387036 | 0.78 | CXCL8 (0.41) | CXCL8ALDH1A1HPGDCYP2C9PTGS2 | |
| SCHEMBL7837046 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HPGDGAARAB9AKDM4E | |
| SCHEMBL8777074 | 0.77 | BPTF (0.44) | CXCL8ALDH1A1HPGDCYP2C9GAA | |
| SCHEMBL11563375 | 0.77 | PTGS2 (0.75) | CXCL8CYP2C9PTGS2TTRPTGS1 | |
| SCHEMBL11563957 | 0.77 | PTGS2 (0.75) | CXCL8CYP2C9PTGS2TTRPTGS1 | |
| SCHEMBL11561045 | 0.77 | P2RX7 (0.57) | CXCL8ALDH1A1HPGDCYP2C9PTGS2 | |
| SCHEMBL10339218 | 0.76 | AKR1B1 (0.46) | ALDH1A1GAACYP3A4TSHRBLM |
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-104974164-A | Preparation method of 6-aminomethyl-6, 11-dihydro-5H-dibenzo [ b, e ] azepine | UNIV DALIAN TECH | 2015-10-14 | — | — | CN | disclosed |