Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8607208 | 0.86 | PTPN1 (0.36) | PTPN1CNR1KDM4EALDH1A1TLR8 | |
| SCHEMBL9754870 | 0.72 | ALDH1A1 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL8086115 | 0.69 | MEN1 (0.34) | ALDH1A1 | |
| SCHEMBL8086972 | 0.67 | HSD17B10 (0.43) | ALDH1A1 | |
| SCHEMBL10608915 | 0.67 | PTPN1 (0.50) | PTPN1CNR1ALDH1A1BCHEACHE | |
| SCHEMBL8087155 | 0.67 | AKR1B1 (0.42) | KDM4EALDH1A1TDP1 | |
| SCHEMBL5602078 | 0.67 | KDM4E (0.33) | PTPN1KDM4EALDH1A1TLR8HSD11B1 | |
| SCHEMBL5603915 | 0.66 | TDP1 (0.33) | PTPN1KDM4EALDH1A1TLR8HSD11B1 | |
| SCHEMBL5601003 | 0.66 | HSD11B1 (0.35) | PTPN1KDM4EALDH1A1TLR8HSD11B1 | |
| SCHEMBL2701240 | 0.65 | LIPG (0.50) | PTPN1TLR8BCHEACHEGPR3 |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |