Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693462 | 0.77 | MAOB (0.47) | PTPN1HTTKDM4EHSD17B10CYP4F2 | |
| SCHEMBL485775 | 0.77 | KDM4E (0.46) | KDM4EMAPTTSHRHPGDALDH1A1 | |
| SCHEMBL27713187 | 0.75 | HTT (0.47) | HTTKDM4EHSD17B10GAAMAPT | |
| SCHEMBL27688219 | 0.73 | PTPN1 (0.64) | PTPN1KDM4EHSD17B10TSHRTDP1 | |
| SCHEMBL7918996 | 0.73 | HTT (0.75) | HTTKDM4EHSD17B10GAAMAPT | |
| SCHEMBL16348536 | 0.72 | PTPN1 (0.63) | PTPN1HTTKDM4EHSD17B10GAA | |
| SCHEMBL6622277 | 0.71 | KDM4E (0.50) | HTTKDM4EHSD17B10GAAMAPT | |
| SCHEMBL18066345 | 0.70 | PTPN1 (1.00) | PTPN1HTTKDM4EHSD17B10GAA | |
| SCHEMBL484956 | 0.70 | HTT (0.51) | HTTKDM4EHSD17B10GAAMAPT | |
| SCHEMBL9628345 | 0.69 | HTT (0.56) | PTPN1HTTKDM4EHSD17B10GAA |
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-101094830-A | Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-12-26 | — | — | CN | disclosed |