Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6531808 | 0.86 | RAB9A (0.54) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL13267812 | 0.84 | DRD2 (0.51) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL6533131 | 0.83 | KDM4E (0.55) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL6531687 | 0.82 | KDM4E (0.56) | HTTALDH1A1KDM4EGAACYP3A4 | |
| SCHEMBL2929140 | 0.76 | AHR (0.55) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL6882102 | 0.75 | HTT (0.55) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL14533466 | 0.74 | RAB9A (0.60) | HTTALDH1A1KDM4EMAPTGAA | |
| Water SCHEMBL11540986 | 0.73 | HTT (0.53) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL669111 | 0.73 | HTT (0.73) | HTTALDH1A1KDM4EMAPTGAA | |
| SCHEMBL14615456 | 0.72 | HTT (0.51) | HTTALDH1A1KDM4EMAPTGAA |
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 |