Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 4/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401402 | 0.88 | HTT (0.46) | HTTSMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL3404972 | 0.84 | MGLL (0.51) | HTTBCHESMN1; SMN2CA1CA2 | |
| SCHEMBL3404315 | 0.76 | CA12 (0.52) | SMN1; SMN2CA12CA1CA2CA7 | |
| SCHEMBL3401766 | 0.74 | AOC3 (0.54) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| SCHEMBL3407934 | 0.73 | MEN1 (0.41) | HTTBCHESMN1; SMN2CHRM2ELANE | |
| SCHEMBL8536318 | 0.69 | CA2 (0.55) | SMN1; SMN2CA12CA1CA2CA7 | |
| SCHEMBL27774480 | 0.69 | MEN1 (0.53) | HTTBCHESMN1; SMN2CHRM2ELANE | |
| SCHEMBL9714370 | 0.69 | CYP3A4 (0.55) | HTTSMN1; SMN2KDM4EGAAMAPT | |
| SCHEMBL9651163 | 0.68 | MGAM (0.34) | SMN1; SMN2GAAMAPTKMT2AMEN1 | |
| SCHEMBL25407106 | 0.68 | ELANE (0.51) | BCHECA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2252604-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-Tech Ueno, Ltd. (JP) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009096609-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-08-06 | — | — | WO | disclosed |