Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.56 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | RARB | P10826 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL15496084 | 0.81 | TBXAS1 (0.44) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL15335209 | 0.80 | HDAC3 (0.41) | ESR1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27983540 | 0.79 | IDO1 (0.42) | HTTHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL23090522 | 0.77 | HDAC8 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29499512 | 0.77 | HDAC8 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL18823836 | 0.76 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL23040177 | 0.76 | HDAC3 (0.38) | TSHRHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21118382 | 0.75 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL22501317 | 0.75 | PTGS2 (0.50) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL14378840 | 0.75 | HDAC3 (0.40) | CYP2C9ESR1TSHRHDAC3HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020232807-A1 | NAPHTHOQUINONE FUSED TRIAZOLE DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF | 广州中医药大学(广州中医药研究院) (CN) | 2020-11-26 | — | — | WO | disclosed |
| CN-110366428-A | Polypeptide-antigen conjugates with unnatural amino acids | SUTROVAX公司 | 2019-10-22 | — | — | CN | disclosed |