Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510973 | 0.89 | CYP3A4 (0.40) | GRM5ALDH1A1HPGDNPSR1L3MBTL1 | |
| SCHEMBL6507690 | 0.88 | TDP1 (0.41) | L3MBTL1 | |
| SCHEMBL6507278 | 0.86 | GABRA1 (0.39) | KDM4EALDH1A1HTR1ANPSR1CYP11B1 | |
| SCHEMBL7470082 | 0.81 | KDM4E (0.36) | KDM4EALDH1A1GAACYP11B1CYP1A2 | |
| SCHEMBL7474245 | 0.76 | DAGLA (0.33) | KDM4ECYP1A2MAPT | |
| SCHEMBL7017630 | 0.75 | PTPRC (0.38) | GRM5KDM4EALDH1A1CYP1A2GABRA1 | |
| SCHEMBL7021136 | 0.75 | NR1H2 (0.43) | L3MBTL1 | |
| SCHEMBL1494495 | 0.75 | GRM5 (0.45) | GRM5ELANEKDM4EALDH1A1HPGD | |
| SCHEMBL6562804 | 0.72 | GRM5 (0.46) | GRM5ELANEKDM4EALDH1A1ADRA2A | |
| SCHEMBL7075262 | 0.72 | GRM5 (0.50) | GRM5KDM4EADRA2AADRA2BADRA2C |
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 |